1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide

C12H22N2O2 — CID 114762479

IUPAC1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C1CCC(O)CC1
InChIInChI=1S/C12H22N2O2/c1-13-12(16)11-3-2-8-14(11)9-4-6-10(15)7-5-9/h9-11,15H,2-8H2,1H3,(H,13,16)
InChIKeyXLBTTXHCUKIABU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide

1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 114762479) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID114762479
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C1CCC(O)CC1
InChIInChI=1S/C12H22N2O2/c1-13-12(16)11-3-2-8-14(11)9-4-6-10(15)7-5-9/h9-11,15H,2-8H2,1H3,(H,13,16)
InChIKeyXLBTTXHCUKIABU-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 114763026
N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 114763027
4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid
CID 118295136
1-(4-hydroxycyclohexyl)-N-methylpiperidine-3-carboxamide
CID 103198801
(2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide
CID 45086901
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide (CID 114762479) is 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XLBTTXHCUKIABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-12(16)11-3-2-8-14(11)9-4-6-10(15)7-5-9/h9-11,15H,2-8H2,1H3,(H,13,16).
What are the key properties of 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide?
1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114762479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).