N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride

C20H38ClN3O2 — CID 119738391

IUPACN-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C20H37N3O2.ClH/c1-4-5-11-22(3)20(25)17-8-12-23(13-9-17)19(24)14-16(2)18-7-6-10-21-15-18;/h16-18,21H,4-15H2,1-3H3;1H
InChIKeyODCLVVUWRGXFQZ-UHFFFAOYSA-N
MW388.00 g/mol
LogP2.93
Rot. Bonds7

About N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride

N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119738391) has the molecular formula C20H38ClN3O2 and a molecular weight of 388.00 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119738391
Molecular FormulaC20H38ClN3O2
Molecular Weight388.00 g/mol
Exact Mass387.27
IUPAC NameN-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C20H37N3O2.ClH/c1-4-5-11-22(3)20(25)17-8-12-23(13-9-17)19(24)14-16(2)18-7-6-10-21-15-18;/h16-18,21H,4-15H2,1-3H3;1H
InChIKeyODCLVVUWRGXFQZ-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.00
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride (CID 119738391) is N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride is CCCCN(C)C(=O)C1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl.
What is the InChIKey of N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ODCLVVUWRGXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2.ClH/c1-4-5-11-22(3)20(25)17-8-12-23(13-9-17)19(24)14-16(2)18-7-6-10-21-15-18;/h16-18,21H,4-15H2,1-3H3;1H.
What are the key properties of N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride?
N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119738391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).