(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C19H29N3O3 — CID 95740265

IUPAC(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc([C@H]2[C@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1
InChIInChI=1S/C19H29N3O3/c1-21(2)13-5-12-20-19(24)16-10-11-17(23)22(3)18(16)14-6-8-15(25-4)9-7-14/h6-9,16,18H,5,10-13H2,1-4H3,(H,20,24)/t16-,18+/m1/s1
InChIKeyJBAQQRFVTSKIJC-AEFFLSMTSA-N
MW347.46 g/mol
LogP1.67
Rot. Bonds7

About (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 95740265) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID95740265
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc([C@H]2[C@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1
InChIInChI=1S/C19H29N3O3/c1-21(2)13-5-12-20-19(24)16-10-11-17(23)22(3)18(16)14-6-8-15(25-4)9-7-14/h6-9,16,18H,5,10-13H2,1-4H3,(H,20,24)/t16-,18+/m1/s1
InChIKeyJBAQQRFVTSKIJC-AEFFLSMTSA-N
XLogP1.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-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-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91957469
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 56730452
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91954117
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362478
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 120653334
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 95740265) is (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is COc1ccc([C@H]2[C@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1.
What is the InChIKey of (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is JBAQQRFVTSKIJC-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(2)13-5-12-20-19(24)16-10-11-17(23)22(3)18(16)14-6-8-15(25-4)9-7-14/h6-9,16,18H,5,10-13H2,1-4H3,(H,20,24)/t16-,18+/m1/s1.
What are the key properties of (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95740265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).