3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one

C14H24N2O — CID 50965429

IUPAC3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCNC2CC=CC2)C1
InChIInChI=1S/C14H24N2O/c1-12-5-4-10-16(11-12)14(17)8-9-15-13-6-2-3-7-13/h2-3,12-13,15H,4-11H2,1H3
InChIKeySXBDOUPWNHJMSS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds4

About 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one

3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 50965429) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID50965429
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCNC2CC=CC2)C1
InChIInChI=1S/C14H24N2O/c1-12-5-4-10-16(11-12)14(17)8-9-15-13-6-2-3-7-13/h2-3,12-13,15H,4-11H2,1H3
InChIKeySXBDOUPWNHJMSS-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 50965429) is 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)CCNC2CC=CC2)C1.
What is the InChIKey of 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is SXBDOUPWNHJMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-5-4-10-16(11-12)14(17)8-9-15-13-6-2-3-7-13/h2-3,12-13,15H,4-11H2,1H3.
What are the key properties of 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-3-en-1-ylamino)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 50965429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).