N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C18H23N5O2 — CID 75521565

IUPACN-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)N2CCCCC2c2cn[nH]c2)c1
InChIInChI=1S/C18H23N5O2/c1-2-17(24)21-14-6-5-7-15(10-14)22-18(25)23-9-4-3-8-16(23)13-11-19-20-12-13/h5-7,10-12,16H,2-4,8-9H2,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyDVKSJMJWWZXYSH-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.52
Rot. Bonds4

About N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 75521565) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID75521565
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)N2CCCCC2c2cn[nH]c2)c1
InChIInChI=1S/C18H23N5O2/c1-2-17(24)21-14-6-5-7-15(10-14)22-18(25)23-9-4-3-8-16(23)13-11-19-20-12-13/h5-7,10-12,16H,2-4,8-9H2,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyDVKSJMJWWZXYSH-UHFFFAOYSA-N
XLogP3.52
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methyl-4-nitrophenyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99698277
(2R)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 97305922
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521633
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614

Frequently Asked Questions

What is the IUPAC name of N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 75521565) is N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is CCC(=O)Nc1cccc(NC(=O)N2CCCCC2c2cn[nH]c2)c1.
What is the InChIKey of N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is DVKSJMJWWZXYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-17(24)21-14-6-5-7-15(10-14)22-18(25)23-9-4-3-8-16(23)13-11-19-20-12-13/h5-7,10-12,16H,2-4,8-9H2,1H3,(H,19,20)(H,21,24)(H,22,25).
What are the key properties of N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75521565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).