N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C21H27N5O2 — CID 86831395

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(26-11-9-24(10-12-26)20-5-7-22-8-6-20)23-17-18-1-3-19(4-2-18)25-13-15-28-16-14-25/h1-8H,9-17H2,(H,23,27)
InChIKeyXMITWFFUYOLARU-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.95
Rot. Bonds4

About N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86831395) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86831395
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(26-11-9-24(10-12-26)20-5-7-22-8-6-20)23-17-18-1-3-19(4-2-18)25-13-15-28-16-14-25/h1-8H,9-17H2,(H,23,27)
InChIKeyXMITWFFUYOLARU-UHFFFAOYSA-N
XLogP1.95
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
methyl 4-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108763
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide
CID 56762086
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108746
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86831395) is N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is XMITWFFUYOLARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-21(26-11-9-24(10-12-26)20-5-7-22-8-6-20)23-17-18-1-3-19(4-2-18)25-13-15-28-16-14-25/h1-8H,9-17H2,(H,23,27).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86831395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).