N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride

C12H22ClN3O2 — CID 119802178

IUPACN-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCCC1NC(=O)C1CCNC1
InChIInChI=1S/C12H21N3O2.ClH/c13-11(16)9-3-1-2-4-10(9)15-12(17)8-5-6-14-7-8;/h8-10,14H,1-7H2,(H2,13,16)(H,15,17);1H
InChIKeyVMRXDVJXIWHOOB-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.18
Rot. Bonds3

About N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119802178) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119802178
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC NameN-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCCC1NC(=O)C1CCNC1
InChIInChI=1S/C12H21N3O2.ClH/c13-11(16)9-3-1-2-4-10(9)15-12(17)8-5-6-14-7-8;/h8-10,14H,1-7H2,(H2,13,16)(H,15,17);1H
InChIKeyVMRXDVJXIWHOOB-UHFFFAOYSA-N
XLogP0.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64817965
2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814811
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
CID 102212864
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155
(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 131089746
(3S)-N-(2-methyloxolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130747909
(3R)-N-(2-methylcycloheptyl)piperidine-3-carboxamide
CID 81134931
N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide
CID 130688496

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119802178) is N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.NC(=O)C1CCCCC1NC(=O)C1CCNC1.
What is the InChIKey of N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is VMRXDVJXIWHOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c13-11(16)9-3-1-2-4-10(9)15-12(17)8-5-6-14-7-8;/h8-10,14H,1-7H2,(H2,13,16)(H,15,17);1H.
What are the key properties of N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119802178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).