(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide

C15H27N3O — CID 104913494

IUPAC(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)[C@@H]1CCCCN1)C2
InChIInChI=1S/C15H27N3O/c1-18-12-5-6-13(18)9-11(8-12)10-17-15(19)14-4-2-3-7-16-14/h11-14,16H,2-10H2,1H3,(H,17,19)/t11?,12?,13?,14-/m0/s1
InChIKeyXQDRMWYLAIUWOO-XOZUOACSSA-N
MW265.40 g/mol
LogP1.12
Rot. Bonds3

About (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide

(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 104913494) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
PubChem CID104913494
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)[C@@H]1CCCCN1)C2
InChIInChI=1S/C15H27N3O/c1-18-12-5-6-13(18)9-11(8-12)10-17-15(19)14-4-2-3-7-16-14/h11-14,16H,2-10H2,1H3,(H,17,19)/t11?,12?,13?,14-/m0/s1
InChIKeyXQDRMWYLAIUWOO-XOZUOACSSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 54898996
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54898994
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-3-carboxamide
CID 54899042
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide (CID 104913494) is (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide is CN1C2CCC1CC(CNC(=O)[C@@H]1CCCCN1)C2.
What is the InChIKey of (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is XQDRMWYLAIUWOO-XOZUOACSSA-N. The full InChI is InChI=1S/C15H27N3O/c1-18-12-5-6-13(18)9-11(8-12)10-17-15(19)14-4-2-3-7-16-14/h11-14,16H,2-10H2,1H3,(H,17,19)/t11?,12?,13?,14-/m0/s1.
What are the key properties of (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 104913494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).