N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride

C13H23ClN2O — CID 119426705

IUPACN-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1C2CCCCC21
InChIInChI=1S/C13H22N2O.ClH/c16-13(15-9-4-3-7-14-8-9)12-10-5-1-2-6-11(10)12;/h9-12,14H,1-8H2,(H,15,16);1H
InChIKeyZCSSZLQJDCFLKV-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.71
Rot. Bonds2

About N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride

N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride (PubChem CID 119426705) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
PubChem CID119426705
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1C2CCCCC21
InChIInChI=1S/C13H22N2O.ClH/c16-13(15-9-4-3-7-14-8-9)12-10-5-1-2-6-11(10)12;/h9-12,14H,1-8H2,(H,15,16);1H
InChIKeyZCSSZLQJDCFLKV-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
CID 119388101
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
4-methyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 81470564
N-(3-methylpiperidin-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 120556652
3,3-difluoro-N-piperidin-3-ylcyclobutane-1-carboxamide
CID 119428759
2-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 107181065
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride (CID 119426705) is N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)C1C2CCCCC21.
What is the InChIKey of N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride?
The InChIKey is ZCSSZLQJDCFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c16-13(15-9-4-3-7-14-8-9)12-10-5-1-2-6-11(10)12;/h9-12,14H,1-8H2,(H,15,16);1H.
What are the key properties of N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride?
N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride is sourced from PubChem (CID 119426705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).