(3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide

C23H30N6O2 — CID 92870508

IUPAC(3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1
InChIInChI=1S/C23H30N6O2/c30-23(25-9-4-10-27-13-15-31-16-14-27)18-5-2-11-28(17-18)22-20-7-3-12-29(20)19-6-1-8-24-21(19)26-22/h1,3,6-8,12,18H,2,4-5,9-11,13-17H2,(H,25,30)/t18-/m1/s1
InChIKeyYRTMRWJYTMIGJR-GOSISDBHSA-N
MW422.53 g/mol
LogP1.94
Rot. Bonds6

About (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide

(3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide (PubChem CID 92870508) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
PubChem CID92870508
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1
InChIInChI=1S/C23H30N6O2/c30-23(25-9-4-10-27-13-15-31-16-14-27)18-5-2-11-28(17-18)22-20-7-3-12-29(20)19-6-1-8-24-21(19)26-22/h1,3,6-8,12,18H,2,4-5,9-11,13-17H2,(H,25,30)/t18-/m1/s1
InChIKeyYRTMRWJYTMIGJR-GOSISDBHSA-N
XLogP1.94
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[3-(azepan-1-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328210
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328213
(3S)-N-(2-pyrrolidin-1-ylethyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870571
(3R)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870580
(3S)-N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870585
(3S)-N-[(2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870531
N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328215
(3S)-N-(3,4-dimethylphenyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870513
N-(2-methylphenyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328176
(3S)-N-[(3-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870533
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328224

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide (CID 92870508) is (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide is O=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1.
What is the InChIKey of (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
The InChIKey is YRTMRWJYTMIGJR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N6O2/c30-23(25-9-4-10-27-13-15-31-16-14-27)18-5-2-11-28(17-18)22-20-7-3-12-29(20)19-6-1-8-24-21(19)26-22/h1,3,6-8,12,18H,2,4-5,9-11,13-17H2,(H,25,30)/t18-/m1/s1.
What are the key properties of (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide?
(3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-morpholin-4-ylpropyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92870508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).