4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one

C14H25N3O — CID 114155168

IUPAC4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCCCC2C2CCCN2)CN1
InChIInChI=1S/C14H25N3O/c18-14-8-10(9-16-14)17-13-5-2-1-4-11(13)12-6-3-7-15-12/h10-13,15,17H,1-9H2,(H,16,18)
InChIKeyGRSIESDPJMFQCP-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.78
Rot. Bonds3

About 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one

4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one (PubChem CID 114155168) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one
PubChem CID114155168
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCCCC2C2CCCN2)CN1
InChIInChI=1S/C14H25N3O/c18-14-8-10(9-16-14)17-13-5-2-1-4-11(13)12-6-3-7-15-12/h10-13,15,17H,1-9H2,(H,16,18)
InChIKeyGRSIESDPJMFQCP-UHFFFAOYSA-N
XLogP0.78
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-piperidin-2-ylcyclohexyl)amino]piperidine-2,6-dione
CID 79540257
3-[(2-pyrrolidin-2-ylcyclopentyl)amino]piperidin-2-one
CID 79543600
3-[(2-piperidin-2-ylcyclohexyl)amino]cyclobutan-1-ol
CID 79552583
N-(3-methylcyclopentyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114543913
4-[[2-(aminomethyl)cyclopentyl]amino]pyrrolidin-2-one
CID 106184314
1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine
CID 128748620
N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536701
1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
CID 79541542
1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
CID 79545123
4-(piperidin-4-ylamino)pyrrolidin-2-one
CID 106184253
N-(2-pyrrolidin-2-ylcyclohexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 79536664
N-(2-methylcyclopropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544805

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one (CID 114155168) is 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one is O=C1CC(NC2CCCCC2C2CCCN2)CN1.
What is the InChIKey of 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one?
The InChIKey is GRSIESDPJMFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14-8-10(9-16-14)17-13-5-2-1-4-11(13)12-6-3-7-15-12/h10-13,15,17H,1-9H2,(H,16,18).
What are the key properties of 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one?
4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 114155168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).