N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C23H37N5O2 — CID 86898946

IUPACN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCCC2)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C23H37N5O2/c29-23(28-11-6-20(7-12-28)19-26-13-15-30-16-14-26)25-18-21-5-8-24-22(17-21)27-9-3-1-2-4-10-27/h5,8,17,20H,1-4,6-7,9-16,18-19H2,(H,25,29)
InChIKeyBRDURCOGQIGYKA-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.72
Rot. Bonds5

About N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 86898946) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID86898946
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCCC2)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C23H37N5O2/c29-23(28-11-6-20(7-12-28)19-26-13-15-30-16-14-26)25-18-21-5-8-24-22(17-21)27-9-3-1-2-4-10-27/h5,8,17,20H,1-4,6-7,9-16,18-19H2,(H,25,29)
InChIKeyBRDURCOGQIGYKA-UHFFFAOYSA-N
XLogP2.72
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55793525
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111997396
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111984605
4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 55794635
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55769235
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate
CID 136523588
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 86898946) is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccnc(N2CCCCCC2)c1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is BRDURCOGQIGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c29-23(28-11-6-20(7-12-28)19-26-13-15-30-16-14-26)25-18-21-5-8-24-22(17-21)27-9-3-1-2-4-10-27/h5,8,17,20H,1-4,6-7,9-16,18-19H2,(H,25,29).
What are the key properties of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 86898946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).