N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide

C13H22N2O — CID 81479063

IUPACN-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCC1CCCCN1)C1C2CCCC21
InChIInChI=1S/C13H22N2O/c16-13(12-10-5-3-6-11(10)12)15-8-9-4-1-2-7-14-9/h9-12,14H,1-8H2,(H,15,16)
InChIKeyDDXBCFQMTJWSFK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds3

About N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 81479063) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID81479063
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCC1CCCCN1)C1C2CCCC21
InChIInChI=1S/C13H22N2O/c16-13(12-10-5-3-6-11(10)12)15-8-9-4-1-2-7-14-9/h9-12,14H,1-8H2,(H,15,16)
InChIKeyDDXBCFQMTJWSFK-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115736893
(2R)-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103805969
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 130961670
N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 114306831
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 122080350
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 81479063) is N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(NCC1CCCCN1)C1C2CCCC21.
What is the InChIKey of N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is DDXBCFQMTJWSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(12-10-5-3-6-11(10)12)15-8-9-4-1-2-7-14-9/h9-12,14H,1-8H2,(H,15,16).
What are the key properties of N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 81479063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).