N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide

C20H37N3O2 — CID 119744465

IUPACN-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C20H37N3O2/c1-4-5-11-22-20(25)18-9-8-16(3)23(14-18)19(24)12-15(2)17-7-6-10-21-13-17/h15-18,21H,4-14H2,1-3H3,(H,22,25)
InChIKeyKPCVOGIDYFRCTG-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.56
Rot. Bonds7

About N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide

N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide (PubChem CID 119744465) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
PubChem CID119744465
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C20H37N3O2/c1-4-5-11-22-20(25)18-9-8-16(3)23(14-18)19(24)12-15(2)17-7-6-10-21-13-17/h15-18,21H,4-14H2,1-3H3,(H,22,25)
InChIKeyKPCVOGIDYFRCTG-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119762851
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119744484
1-(2,6-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119792024
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
CID 120561073
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044719
1-butyl-3-(1-piperidin-3-ylethyl)urea
CID 43523386
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671933
1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81043659

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide (CID 119744465) is N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(C(=O)CC(C)C2CCCNC2)C1.
What is the InChIKey of N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
The InChIKey is KPCVOGIDYFRCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-4-5-11-22-20(25)18-9-8-16(3)23(14-18)19(24)12-15(2)17-7-6-10-21-13-17/h15-18,21H,4-14H2,1-3H3,(H,22,25).
What are the key properties of N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide has a molecular weight of 351.54 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119744465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).