(5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one

C16H20N4O — CID 146133739

IUPAC(5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one
SMILESCc1cn[nH]c1CN[C@@H]1CCC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C16H20N4O/c1-11-9-18-20-14(11)10-17-13-7-8-15(21)19-16(13)12-5-3-2-4-6-12/h2-6,9,13,16-17H,7-8,10H2,1H3,(H,18,20)(H,19,21)/t13-,16+/m1/s1
InChIKeyFGSVDKLPYMPUPE-CJNGLKHVSA-N
MW284.36 g/mol
LogP1.83
Rot. Bonds4

About (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one

(5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one (PubChem CID 146133739) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one
PubChem CID146133739
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one
SMILESCc1cn[nH]c1CN[C@@H]1CCC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C16H20N4O/c1-11-9-18-20-14(11)10-17-13-7-8-15(21)19-16(13)12-5-3-2-4-6-12/h2-6,9,13,16-17H,7-8,10H2,1H3,(H,18,20)(H,19,21)/t13-,16+/m1/s1
InChIKeyFGSVDKLPYMPUPE-CJNGLKHVSA-N
XLogP1.83
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one?
The IUPAC name of (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one (CID 146133739) is (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one?
The canonical SMILES for (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one is Cc1cn[nH]c1CN[C@@H]1CCC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one?
The InChIKey is FGSVDKLPYMPUPE-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-9-18-20-14(11)10-17-13-7-8-15(21)19-16(13)12-5-3-2-4-6-12/h2-6,9,13,16-17H,7-8,10H2,1H3,(H,18,20)(H,19,21)/t13-,16+/m1/s1.
What are the key properties of (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one?
(5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[(4-methyl-1H-pyrazol-5-yl)methylamino]-6-phenylpiperidin-2-one is sourced from PubChem (CID 146133739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).