3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

C16H26N2O2 — CID 139635690

IUPAC3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1CCCC(NC2CCCC2)=C1CN1CCOCC1
InChIInChI=1S/C16H26N2O2/c19-16-7-3-6-15(17-13-4-1-2-5-13)14(16)12-18-8-10-20-11-9-18/h13,17H,1-12H2
InChIKeyPCFJKSOXMWKDKE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds4

About 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (PubChem CID 139635690) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
PubChem CID139635690
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1CCCC(NC2CCCC2)=C1CN1CCOCC1
InChIInChI=1S/C16H26N2O2/c19-16-7-3-6-15(17-13-4-1-2-5-13)14(16)12-18-8-10-20-11-9-18/h13,17H,1-12H2
InChIKeyPCFJKSOXMWKDKE-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (CID 139635690) is 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is O=C1CCCC(NC2CCCC2)=C1CN1CCOCC1.
What is the InChIKey of 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is PCFJKSOXMWKDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-16-7-3-6-15(17-13-4-1-2-5-13)14(16)12-18-8-10-20-11-9-18/h13,17H,1-12H2.
What are the key properties of 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 139635690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).