N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H30N4O — CID 4030737

IUPACN-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-16(19(24)21-15-17-7-3-2-4-8-17)22-11-13-23(14-12-22)18-9-5-6-10-20-18/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,21,24)
InChIKeyIQHWSZKMDQAHIY-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.29
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 4030737) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID4030737
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-16(19(24)21-15-17-7-3-2-4-8-17)22-11-13-23(14-12-22)18-9-5-6-10-20-18/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,21,24)
InChIKeyIQHWSZKMDQAHIY-UHFFFAOYSA-N
XLogP2.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-(cyclohexylmethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 46615203
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]cyclohexanamine
CID 13345115
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
CID 92987652
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 4030737) is N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(C(=O)NCC1CCCCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is IQHWSZKMDQAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16(19(24)21-15-17-7-3-2-4-8-17)22-11-13-23(14-12-22)18-9-5-6-10-20-18/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,21,24).
What are the key properties of N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 330.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 4030737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).