(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide

C20H30N4O3 — CID 51956169

IUPAC(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)NC)ccc2C)C1
InChIInChI=1S/C20H30N4O3/c1-5-23(6-2)20(27)24-11-7-8-16(13-24)19(26)22-17-12-15(18(25)21-4)10-9-14(17)3/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyUFEOAUUCHWQCCJ-MRXNPFEDSA-N
MW374.49 g/mol
LogP2.47
Rot. Bonds5

About (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide

(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 51956169) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID51956169
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)NC)ccc2C)C1
InChIInChI=1S/C20H30N4O3/c1-5-23(6-2)20(27)24-11-7-8-16(13-24)19(26)22-17-12-15(18(25)21-4)10-9-14(17)3/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyUFEOAUUCHWQCCJ-MRXNPFEDSA-N
XLogP2.47
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51955137
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
CID 120568749
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 51955896

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide (CID 51956169) is (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)NC)ccc2C)C1.
What is the InChIKey of (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is UFEOAUUCHWQCCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-5-23(6-2)20(27)24-11-7-8-16(13-24)19(26)22-17-12-15(18(25)21-4)10-9-14(17)3/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,21,25)(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51956169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).