(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C20H32N4O3 — CID 125167670

IUPAC(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)c1C
InChIInChI=1S/C20H32N4O3/c1-5-21-18(26)16-8-6-9-17(15(16)2)22-19(27)24-11-7-10-20(13-24,14-25)12-23(3)4/h6,8-9,25H,5,7,10-14H2,1-4H3,(H,21,26)(H,22,27)/t20-/m1/s1
InChIKeyPRHMEOFQAVVGBF-HXUWFJFHSA-N
MW376.50 g/mol
LogP1.91
Rot. Bonds6

About (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 125167670) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID125167670
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)c1C
InChIInChI=1S/C20H32N4O3/c1-5-21-18(26)16-8-6-9-17(15(16)2)22-19(27)24-11-7-10-20(13-24,14-25)12-23(3)4/h6,8-9,25H,5,7,10-14H2,1-4H3,(H,21,26)(H,22,27)/t20-/m1/s1
InChIKeyPRHMEOFQAVVGBF-HXUWFJFHSA-N
XLogP1.91
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97453605
(3R)-N-[(4-cyanophenyl)methyl]-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125435428
1-[(3R)-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99946177
ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 45249170
3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 139004459
3-[[5-chloro-4-(piperidine-1-carbonyl)isoquinolin-1-yl]amino]-N-ethyl-2-methylbenzamide
CID 71187173
(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 97276049
2-cyclopentyl-1-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 131943805
3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 146128739
3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46982148
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833695
(3R)-N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carboxamide
CID 97151417

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 125167670) is (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide is CCNC(=O)c1cccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)c1C.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is PRHMEOFQAVVGBF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-5-21-18(26)16-8-6-9-17(15(16)2)22-19(27)24-11-7-10-20(13-24,14-25)12-23(3)4/h6,8-9,25H,5,7,10-14H2,1-4H3,(H,21,26)(H,22,27)/t20-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-N-[3-(ethylcarbamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125167670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).