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

C19H29N5O2 — CID 2998706

IUPACN-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H29N5O2/c1-15(18(25)22-19(26)21-16-7-3-2-4-8-16)23-11-13-24(14-12-23)17-9-5-6-10-20-17/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,21,22,25,26)
InChIKeyPLLHGWOOQGGSCT-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.75
Rot. Bonds4

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

N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 2998706) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID2998706
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H29N5O2/c1-15(18(25)22-19(26)21-16-7-3-2-4-8-16)23-11-13-24(14-12-23)17-9-5-6-10-20-17/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,21,22,25,26)
InChIKeyPLLHGWOOQGGSCT-UHFFFAOYSA-N
XLogP1.75
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 2998706) is N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is PLLHGWOOQGGSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-15(18(25)22-19(26)21-16-7-3-2-4-8-16)23-11-13-24(14-12-23)17-9-5-6-10-20-17/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,21,22,25,26).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 2998706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).