N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide

C14H25N3O — CID 23139839

IUPACN-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(N2CCCC2)C1
InChIInChI=1S/C14H25N3O/c18-14(15-12-6-2-1-3-7-12)17-10-13(11-17)16-8-4-5-9-16/h12-13H,1-11H2,(H,15,18)
InChIKeyXCFAAOOPSGBINX-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.81
Rot. Bonds2

About N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide

N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide (PubChem CID 23139839) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
PubChem CID23139839
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(N2CCCC2)C1
InChIInChI=1S/C14H25N3O/c18-14(15-12-6-2-1-3-7-12)17-10-13(11-17)16-8-4-5-9-16/h12-13H,1-11H2,(H,15,18)
InChIKeyXCFAAOOPSGBINX-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-pyrrolidinecarboxamide
CID 327479
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
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1-Cyclohexyl-2-imidazolidinone
CID 580352
Urea, (1-cyclohexyl-3-pyrrolidinyl)-
CID 205686
N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
1-(Piperidin-3-yl)imidazolidin-2-one
CID 45791720
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N-cyclohexyl(2-oxoimidazolidinyl)carboxamide
CID 679198
(4S)-1-cyclohexyl-4-propan-2-ylimidazolidin-2-one
CID 101965974
1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 95707249
1,1-diethyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 97786807
N-cyclohexyl-3-fluoropyrrolidine-1-carboxamide
CID 67988113

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide (CID 23139839) is N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(N2CCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
The InChIKey is XCFAAOOPSGBINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14(15-12-6-2-1-3-7-12)17-10-13(11-17)16-8-4-5-9-16/h12-13H,1-11H2,(H,15,18).
What are the key properties of N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide is sourced from PubChem (CID 23139839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).