1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide

C23H35N3O2 — CID 119823569

IUPAC1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C1CCNCC1
InChIInChI=1S/C23H35N3O2/c1-4-11-26(21-7-9-24-10-8-21)23(28)19-6-5-12-25(16-19)22(27)20-14-17(2)13-18(3)15-20/h13-15,19,21,24H,4-12,16H2,1-3H3
InChIKeyIBACTCGSUDPHGM-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.15
Rot. Bonds5

About 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide (PubChem CID 119823569) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
PubChem CID119823569
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C1CCNCC1
InChIInChI=1S/C23H35N3O2/c1-4-11-26(21-7-9-24-10-8-21)23(28)19-6-5-12-25(16-19)22(27)20-14-17(2)13-18(3)15-20/h13-15,19,21,24H,4-12,16H2,1-3H3
InChIKeyIBACTCGSUDPHGM-UHFFFAOYSA-N
XLogP3.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide (CID 119823569) is 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide is CCCN(C(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C1CCNCC1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide?
The InChIKey is IBACTCGSUDPHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-4-11-26(21-7-9-24-10-8-21)23(28)19-6-5-12-25(16-19)22(27)20-14-17(2)13-18(3)15-20/h13-15,19,21,24H,4-12,16H2,1-3H3.
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 119823569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).