1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide

C21H39N3O2 — CID 55980497

IUPAC1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCCCN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C21H39N3O2/c1-4-7-20(25)24-12-8-19(9-13-24)21(26)22-10-5-6-11-23-15-17(2)14-18(3)16-23/h17-19H,4-16H2,1-3H3,(H,22,26)
InChIKeyUQHQGNQMKUTJRK-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.90
Rot. Bonds8

About 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide

1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide (PubChem CID 55980497) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
PubChem CID55980497
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCCCN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C21H39N3O2/c1-4-7-20(25)24-12-8-19(9-13-24)21(26)22-10-5-6-11-23-15-17(2)14-18(3)16-23/h17-19H,4-16H2,1-3H3,(H,22,26)
InChIKeyUQHQGNQMKUTJRK-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94116306
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide
CID 157341024
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55992784
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55781972
1-[3-(ethylamino)propanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62835714

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide (CID 55980497) is 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCCCCN2CC(C)CC(C)C2)CC1.
What is the InChIKey of 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The InChIKey is UQHQGNQMKUTJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-4-7-20(25)24-12-8-19(9-13-24)21(26)22-10-5-6-11-23-15-17(2)14-18(3)16-23/h17-19H,4-16H2,1-3H3,(H,22,26).
What are the key properties of 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide has a molecular weight of 365.56 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 55980497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).