N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

C19H24N4O2 — CID 124628014

IUPACN-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCC[C@H](C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-17(14-6-4-3-5-7-14)19(25)23-10-8-16(9-11-23)22-18(24)15-12-20-21-13-15/h3-7,12-13,16-17H,2,8-11H2,1H3,(H,20,21)(H,22,24)/t17-/m0/s1
InChIKeyNURWKNHSUYKBJI-KRWDZBQOSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds5

About N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 124628014) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID124628014
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCC[C@H](C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-17(14-6-4-3-5-7-14)19(25)23-10-8-16(9-11-23)22-18(24)15-12-20-21-13-15/h3-7,12-13,16-17H,2,8-11H2,1H3,(H,20,21)(H,22,24)/t17-/m0/s1
InChIKeyNURWKNHSUYKBJI-KRWDZBQOSA-N
XLogP2.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide
CID 171684982
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide
CID 99815640
3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 60611279
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 60611058

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 124628014) is N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is CC[C@H](C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is NURWKNHSUYKBJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-17(14-6-4-3-5-7-14)19(25)23-10-8-16(9-11-23)22-18(24)15-12-20-21-13-15/h3-7,12-13,16-17H,2,8-11H2,1H3,(H,20,21)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124628014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).