1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride

C20H36ClN3O2 — CID 119738397

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C20H35N3O2.ClH/c1-3-4-9-22(2)20(25)16-7-10-23(11-8-16)19(24)14-15-12-17-5-6-18(13-15)21-17;/h15-18,21H,3-14H2,1-2H3;1H
InChIKeyMFPSWELUNKWATO-UHFFFAOYSA-N
MW385.98 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119738397) has the molecular formula C20H36ClN3O2 and a molecular weight of 385.98 g/mol. Its IUPAC name is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119738397
Molecular FormulaC20H36ClN3O2
Molecular Weight385.98 g/mol
Exact Mass385.25
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C20H35N3O2.ClH/c1-3-4-9-22(2)20(25)16-7-10-23(11-8-16)19(24)14-15-12-17-5-6-18(13-15)21-17;/h15-18,21H,3-14H2,1-2H3;1H
InChIKeyMFPSWELUNKWATO-UHFFFAOYSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.98
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119895924
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide
CID 79607842
1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119738371
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 79610320
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 119896702
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887478

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119738397) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride is CCCCN(C)C(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.Cl.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MFPSWELUNKWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2.ClH/c1-3-4-9-22(2)20(25)16-7-10-23(11-8-16)19(24)14-15-12-17-5-6-18(13-15)21-17;/h15-18,21H,3-14H2,1-2H3;1H.
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 385.98 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119738397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).