N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide

C12H21N3O — CID 79162541

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2C3CNCC32)C1
InChIInChI=1S/C12H21N3O/c1-8-3-2-4-15(7-8)12(16)14-11-9-5-13-6-10(9)11/h8-11,13H,2-7H2,1H3,(H,14,16)
InChIKeyYYQAOPLDDWHLPA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.65
Rot. Bonds1

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 79162541) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide
PubChem CID79162541
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2C3CNCC32)C1
InChIInChI=1S/C12H21N3O/c1-8-3-2-4-15(7-8)12(16)14-11-9-5-13-6-10(9)11/h8-11,13H,2-7H2,1H3,(H,14,16)
InChIKeyYYQAOPLDDWHLPA-UHFFFAOYSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-methyl-N-(2-methylpiperidin-3-yl)piperidine-1-carboxamide
CID 79159344
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
3-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 103977249
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N-[2-(hydroxymethyl)cyclopentyl]-3-methylpiperidine-1-carboxamide
CID 114178614
3-hydroxy-N-(3-methylcyclohexyl)piperidine-1-carboxamide
CID 110896538
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-carboxamide
CID 115629689
N-(3-methoxycyclopentyl)-3-methylpiperidine-1-carboxamide
CID 103082501
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-ethyl-6-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 128833216

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide (CID 79162541) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC2C3CNCC32)C1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is YYQAOPLDDWHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-3-2-4-15(7-8)12(16)14-11-9-5-13-6-10(9)11/h8-11,13H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79162541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).