N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride

C14H27ClN4O2 — CID 119905800

IUPACN-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)NC(=O)NC2CCCCC2)C1.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-15-12-7-8-18(9-12)10-13(19)17-14(20)16-11-5-3-2-4-6-11;/h11-12,15H,2-10H2,1H3,(H2,16,17,19,20);1H
InChIKeyKCRVZRQJEODCJP-UHFFFAOYSA-N
MW318.85 g/mol
LogP0.86
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride

N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119905800) has the molecular formula C14H27ClN4O2 and a molecular weight of 318.85 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119905800
Molecular FormulaC14H27ClN4O2
Molecular Weight318.85 g/mol
Exact Mass318.18
IUPAC NameN-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)NC(=O)NC2CCCCC2)C1.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-15-12-7-8-18(9-12)10-13(19)17-14(20)16-11-5-3-2-4-6-11;/h11-12,15H,2-10H2,1H3,(H2,16,17,19,20);1H
InChIKeyKCRVZRQJEODCJP-UHFFFAOYSA-N
XLogP0.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860953
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920121
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
N-(cyclopentylcarbamoyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647897
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 102977459
N-(cyclohexylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872768
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-(cyclopropylcarbamoyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914633

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119905800) is N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride is CNC1CCN(CC(=O)NC(=O)NC2CCCCC2)C1.Cl.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is KCRVZRQJEODCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.ClH/c1-15-12-7-8-18(9-12)10-13(19)17-14(20)16-11-5-3-2-4-6-11;/h11-12,15H,2-10H2,1H3,(H2,16,17,19,20);1H.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119905800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).