(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C18H28N4O — CID 94661500

IUPAC(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c1-15(18(23)20-16-7-3-2-4-8-16)21-11-13-22(14-12-21)17-9-5-6-10-19-17/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyKCAQYEGNFLQHCT-HNNXBMFYSA-N
MW316.45 g/mol
LogP2.04
Rot. Bonds4

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

(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 94661500) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID94661500
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c1-15(18(23)20-16-7-3-2-4-8-16)21-11-13-22(14-12-21)17-9-5-6-10-19-17/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyKCAQYEGNFLQHCT-HNNXBMFYSA-N
XLogP2.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
(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
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53370981
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]cyclohexanamine
CID 13345115
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 94661500) is (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is C[C@@H](C(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is KCAQYEGNFLQHCT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-15(18(23)20-16-7-3-2-4-8-16)21-11-13-22(14-12-21)17-9-5-6-10-19-17/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 316.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 94661500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).