N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide

C17H30N2O — CID 110482205

IUPACN-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCN(C2CCCCC2)C1)C1CCCCC1
InChIInChI=1S/C17H30N2O/c20-17(14-7-3-1-4-8-14)18-15-11-12-19(13-15)16-9-5-2-6-10-16/h14-16H,1-13H2,(H,18,20)
InChIKeyTVBKFJXMFNSSMR-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds3

About N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide

N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide (PubChem CID 110482205) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
PubChem CID110482205
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCN(C2CCCCC2)C1)C1CCCCC1
InChIInChI=1S/C17H30N2O/c20-17(14-7-3-1-4-8-14)18-15-11-12-19(13-15)16-9-5-2-6-10-16/h14-16H,1-13H2,(H,18,20)
InChIKeyTVBKFJXMFNSSMR-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
N,N'-1,2-propanediyldicyclohexanecarboxamide
CID 2921928
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594
(S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458603
Proline scaffold, 34
CID 42618131
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-cyclohexylpropanamide
CID 9798760
(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 44353259
(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402967
(S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402971
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclohexanecarboxamide
CID 49788727
N-[2-(cyclohexylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 800535

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide (CID 110482205) is N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide is O=C(NC1CCN(C2CCCCC2)C1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide?
The InChIKey is TVBKFJXMFNSSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-17(14-7-3-1-4-8-14)18-15-11-12-19(13-15)16-9-5-2-6-10-16/h14-16H,1-13H2,(H,18,20).
What are the key properties of N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide?
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide has a molecular weight of 278.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 110482205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).