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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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).