(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide

C20H29N3O3 — CID 95200625

IUPAC(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)Nc2cccc(N3CCCC3=O)c2C)C1
InChIInChI=1S/C20H29N3O3/c1-3-13-26-16-7-5-11-22(14-16)20(25)21-17-8-4-9-18(15(17)2)23-12-6-10-19(23)24/h4,8-9,16H,3,5-7,10-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyXTCCABOVJILNMK-MRXNPFEDSA-N
MW359.47 g/mol
LogP3.54
Rot. Bonds5

About (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide

(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide (PubChem CID 95200625) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide
PubChem CID95200625
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)Nc2cccc(N3CCCC3=O)c2C)C1
InChIInChI=1S/C20H29N3O3/c1-3-13-26-16-7-5-11-22(14-16)20(25)21-17-8-4-9-18(15(17)2)23-12-6-10-19(23)24/h4,8-9,16H,3,5-7,10-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyXTCCABOVJILNMK-MRXNPFEDSA-N
XLogP3.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 72902872
2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid
CID 154794967
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
CID 95042282
1-[3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
CID 75405377
N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
CID 72941296
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 163339418
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 97453314
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide (CID 95200625) is (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide is CCCO[C@@H]1CCCN(C(=O)Nc2cccc(N3CCCC3=O)c2C)C1.
What is the InChIKey of (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide?
The InChIKey is XTCCABOVJILNMK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-13-26-16-7-5-11-22(14-16)20(25)21-17-8-4-9-18(15(17)2)23-12-6-10-19(23)24/h4,8-9,16H,3,5-7,10-14H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide?
(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide is sourced from PubChem (CID 95200625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).