N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C20H28N2O — CID 154801400

IUPACN-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1C2CCCC21)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O/c1-21(20(23)19-17-8-5-9-18(17)19)16-10-12-22(13-11-16)14-15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3
InChIKeyFPPDFUPKQYESQQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.16
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 154801400) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID154801400
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1C2CCCC21)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O/c1-21(20(23)19-17-8-5-9-18(17)19)16-10-12-22(13-11-16)14-15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3
InChIKeyFPPDFUPKQYESQQ-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
CID 119878274
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
N-methyl-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 86778410
(1R,5R)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 98540487
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 154801400) is N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(C(=O)C1C2CCCC21)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FPPDFUPKQYESQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-21(20(23)19-17-8-5-9-18(17)19)16-10-12-22(13-11-16)14-15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 154801400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).