1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

C21H31N3O3 — CID 110246723

IUPAC1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCCN3CCC(C)CC3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-16-6-10-23(11-7-16)13-9-22-20(25)18-8-12-24(15-18)21(26)17-4-3-5-19(14-17)27-2/h3-5,14,16,18H,6-13,15H2,1-2H3,(H,22,25)
InChIKeyUJJNPSHKYWLNKK-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.01
Rot. Bonds6

About 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 110246723) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID110246723
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCCN3CCC(C)CC3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-16-6-10-23(11-7-16)13-9-22-20(25)18-8-12-24(15-18)21(26)17-4-3-5-19(14-17)27-2/h3-5,14,16,18H,6-13,15H2,1-2H3,(H,22,25)
InChIKeyUJJNPSHKYWLNKK-UHFFFAOYSA-N
XLogP2.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-methoxybenzoyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 92635325
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
3-methoxy-N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111211698
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 110246723) is 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)NCCN3CCC(C)CC3)C2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is UJJNPSHKYWLNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-6-10-23(11-7-16)13-9-22-20(25)18-8-12-24(15-18)21(26)17-4-3-5-19(14-17)27-2/h3-5,14,16,18H,6-13,15H2,1-2H3,(H,22,25).
What are the key properties of 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).