(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide

C16H19N5O2 — CID 95156850

IUPAC(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C16H19N5O2/c22-15(19-13-6-2-1-3-7-13)12-5-4-8-21(11-12)16(23)20-14-9-17-18-10-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,17,18)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyKFINILCINBGEQA-LBPRGKRZSA-N
MW313.36 g/mol
LogP2.29
Rot. Bonds3

About (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide

(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide (PubChem CID 95156850) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
PubChem CID95156850
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C16H19N5O2/c22-15(19-13-6-2-1-3-7-13)12-5-4-8-21(11-12)16(23)20-14-9-17-18-10-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,17,18)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyKFINILCINBGEQA-LBPRGKRZSA-N
XLogP2.29
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52858730
1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide
CID 126841029
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide (CID 95156850) is (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide is O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1.
What is the InChIKey of (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide?
The InChIKey is KFINILCINBGEQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15(19-13-6-2-1-3-7-13)12-5-4-8-21(11-12)16(23)20-14-9-17-18-10-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,17,18)(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide?
(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95156850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).