4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C20H29N3O2 — CID 91910191

IUPAC4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cc(C)cc(C)c3)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-14-10-15(2)12-18(11-14)19(24)23-9-6-17(13-23)16-4-7-22(8-5-16)20(25)21-3/h10-12,16-17H,4-9,13H2,1-3H3,(H,21,25)
InChIKeyHVULVFNJJSBWLE-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.82
Rot. Bonds2

About 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910191) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910191
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cc(C)cc(C)c3)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-14-10-15(2)12-18(11-14)19(24)23-9-6-17(13-23)16-4-7-22(8-5-16)20(25)21-3/h10-12,16-17H,4-9,13H2,1-3H3,(H,21,25)
InChIKeyHVULVFNJJSBWLE-UHFFFAOYSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
3-[(1R,5S)-8-[2-[cyclohexylmethyl(propan-2-ylcarbamoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183527
N-benzoyl-1-piperidinecarboxamide
CID 974065
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721
3-((S)-1-Propyl-piperidin-3-yl)-benzamide
CID 10467118
N,N'-dibutylbenzene-1,3-dicarboxamide
CID 2164314
1-(3-Methylbenzoyl)piperidine-4-carboxamide
CID 772233
(3-Methylphenyl)(piperazin-1-yl)methanone
CID 2760448
N-methyl-N-(2-{1-[(3-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553628
3-[(1R,5R)-8-heptyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 137634747
3-[(1S,5R)-8-[2-[acetyl(cyclohexylmethyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 155532761
3,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 912566

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910191) is 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3cc(C)cc(C)c3)C2)CC1.
What is the InChIKey of 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is HVULVFNJJSBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-10-15(2)12-18(11-14)19(24)23-9-6-17(13-23)16-4-7-22(8-5-16)20(25)21-3/h10-12,16-17H,4-9,13H2,1-3H3,(H,21,25).
What are the key properties of 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).