N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide

C18H30N4O — CID 125162490

IUPACN-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NCC[C@H]1CCCCN1C1CCCC1
InChIInChI=1S/C18H30N4O/c23-18(9-8-15-13-20-21-14-15)19-11-10-17-7-3-4-12-22(17)16-5-1-2-6-16/h13-14,16-17H,1-12H2,(H,19,23)(H,20,21)/t17-/m1/s1
InChIKeyMLYOGMOIPZHCBF-QGZVFWFLSA-N
MW318.46 g/mol
LogP2.65
Rot. Bonds7

About N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide

N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 125162490) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID125162490
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NCC[C@H]1CCCCN1C1CCCC1
InChIInChI=1S/C18H30N4O/c23-18(9-8-15-13-20-21-14-15)19-11-10-17-7-3-4-12-22(17)16-5-1-2-6-16/h13-14,16-17H,1-12H2,(H,19,23)(H,20,21)/t17-/m1/s1
InChIKeyMLYOGMOIPZHCBF-QGZVFWFLSA-N
XLogP2.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 25381889
N-[(1S*,2R*)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56908193
N,N-dimethyl-1-[4-(1H-pyrazol-4-yl)butanoyl]-4-azepanamine
CID 56908749
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-pyrazol-4-yl)butanoyl]pyrrolidin-3-amine
CID 72849771
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
(1S*,6R*)-9-[4-(1H-pyrazol-4-yl)butanoyl]-3,9-diazabicyclo[4.2.1]nonane
CID 74243011
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
N-[(1-Propylcyclobutyl)methyl]-3-(1H-pyrazol-4-YL)propanamide
CID 122562960
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide (CID 125162490) is N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide is O=C(CCc1cn[nH]c1)NCC[C@H]1CCCCN1C1CCCC1.
What is the InChIKey of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is MLYOGMOIPZHCBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30N4O/c23-18(9-8-15-13-20-21-14-15)19-11-10-17-7-3-4-12-22(17)16-5-1-2-6-16/h13-14,16-17H,1-12H2,(H,19,23)(H,20,21)/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 318.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 125162490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).