(3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide

C19H26N4O — CID 164629761

IUPAC(3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)nn1C
InChIInChI=1S/C19H26N4O/c1-14-12-17(21-22(14)4)20-18(24)23-11-10-19(2,3)16(13-23)15-8-6-5-7-9-15/h5-9,12,16H,10-11,13H2,1-4H3,(H,20,21,24)/t16-/m1/s1
InChIKeyVYFNYXDQZBWGBK-MRXNPFEDSA-N
MW326.44 g/mol
LogP3.78
Rot. Bonds2

About (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide

(3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide (PubChem CID 164629761) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
PubChem CID164629761
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)nn1C
InChIInChI=1S/C19H26N4O/c1-14-12-17(21-22(14)4)20-18(24)23-11-10-19(2,3)16(13-23)15-8-6-5-7-9-15/h5-9,12,16H,10-11,13H2,1-4H3,(H,20,21,24)/t16-/m1/s1
InChIKeyVYFNYXDQZBWGBK-MRXNPFEDSA-N
XLogP3.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide (CID 164629761) is (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)nn1C.
What is the InChIKey of (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is VYFNYXDQZBWGBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-12-17(21-22(14)4)20-18(24)23-11-10-19(2,3)16(13-23)15-8-6-5-7-9-15/h5-9,12,16H,10-11,13H2,1-4H3,(H,20,21,24)/t16-/m1/s1.
What are the key properties of (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
(3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 164629761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).