(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

C20H32N4O — CID 96540537

IUPAC(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCN1CCN(C)[C@H](CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)C1
InChIInChI=1S/C20H32N4O/c1-20(17-8-5-4-6-9-17)10-7-11-24(16-20)19(25)21-14-18-15-22(2)12-13-23(18)3/h4-6,8-9,18H,7,10-16H2,1-3H3,(H,21,25)/t18-,20+/m1/s1
InChIKeyIIWJNSCMUCUJCL-QUCCMNQESA-N
MW344.50 g/mol
LogP2.00
Rot. Bonds3

About (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 96540537) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID96540537
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCN1CCN(C)[C@H](CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)C1
InChIInChI=1S/C20H32N4O/c1-20(17-8-5-4-6-9-17)10-7-11-24(16-20)19(25)21-14-18-15-22(2)12-13-23(18)3/h4-6,8-9,18H,7,10-16H2,1-3H3,(H,21,25)/t18-,20+/m1/s1
InChIKeyIIWJNSCMUCUJCL-QUCCMNQESA-N
XLogP2.00
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(3S)-3-phenylbutyl]urea
CID 95622136
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 46882876
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (CID 96540537) is (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is CN1CCN(C)[C@H](CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)C1.
What is the InChIKey of (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is IIWJNSCMUCUJCL-QUCCMNQESA-N. The full InChI is InChI=1S/C20H32N4O/c1-20(17-8-5-4-6-9-17)10-7-11-24(16-20)19(25)21-14-18-15-22(2)12-13-23(18)3/h4-6,8-9,18H,7,10-16H2,1-3H3,(H,21,25)/t18-,20+/m1/s1.
What are the key properties of (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 96540537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).