N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

C18H23ClN4O — CID 95760417

IUPACN-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H](c2ccn[nH]2)C1)NCc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O/c19-16-6-2-1-4-14(16)12-20-18(24)8-11-23-10-3-5-15(13-23)17-7-9-21-22-17/h1-2,4,6-7,9,15H,3,5,8,10-13H2,(H,20,24)(H,21,22)/t15-/m0/s1
InChIKeyIZQPDBMAHNXKNC-HNNXBMFYSA-N
MW346.86 g/mol
LogP2.95
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 95760417) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
PubChem CID95760417
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H](c2ccn[nH]2)C1)NCc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O/c19-16-6-2-1-4-14(16)12-20-18(24)8-11-23-10-3-5-15(13-23)17-7-9-21-22-17/h1-2,4,6-7,9,15H,3,5,8,10-13H2,(H,20,24)(H,21,22)/t15-/m0/s1
InChIKeyIZQPDBMAHNXKNC-HNNXBMFYSA-N
XLogP2.95
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95760420
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
N-[(2-chlorophenyl)methyl]-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 75386560
N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 97238222
N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide
CID 86774926
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45192488
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 166183669
N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760359
N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171335089

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (CID 95760417) is N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC[C@H](c2ccn[nH]2)C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is IZQPDBMAHNXKNC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-16-6-2-1-4-14(16)12-20-18(24)8-11-23-10-3-5-15(13-23)17-7-9-21-22-17/h1-2,4,6-7,9,15H,3,5,8,10-13H2,(H,20,24)(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 346.86 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95760417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).