(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide

C19H25FN4O — CID 125172810

IUPAC(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C19H25FN4O/c1-15(19(25)22-18-5-3-17(20)4-6-18)23-12-7-16(8-13-23)9-14-24-11-2-10-21-24/h2-6,10-11,15-16H,7-9,12-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyZWBWZOAGPGIGGW-HNNXBMFYSA-N
MW344.43 g/mol
LogP3.15
Rot. Bonds6

About (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide

(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide (PubChem CID 125172810) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
PubChem CID125172810
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C19H25FN4O/c1-15(19(25)22-18-5-3-17(20)4-6-18)23-12-7-16(8-13-23)9-14-24-11-2-10-21-24/h2-6,10-11,15-16H,7-9,12-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyZWBWZOAGPGIGGW-HNNXBMFYSA-N
XLogP3.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125175137
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 136524069
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 135099789
N-[(4-fluorophenyl)methyl]-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 55839186
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide (CID 125172810) is (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
The InChIKey is ZWBWZOAGPGIGGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-15(19(25)22-18-5-3-17(20)4-6-18)23-12-7-16(8-13-23)9-14-24-11-2-10-21-24/h2-6,10-11,15-16H,7-9,12-14H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide has a molecular weight of 344.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 125172810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).