3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide

C14H25N3O — CID 119879095

IUPAC3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESC=CCN1CCC(NC(=O)C2CCC(N)C2)CC1
InChIInChI=1S/C14H25N3O/c1-2-7-17-8-5-13(6-9-17)16-14(18)11-3-4-12(15)10-11/h2,11-13H,1,3-10,15H2,(H,16,18)
InChIKeyLBQNEEQEXYXGSS-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.88
Rot. Bonds4

About 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide

3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide (PubChem CID 119879095) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide
PubChem CID119879095
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESC=CCN1CCC(NC(=O)C2CCC(N)C2)CC1
InChIInChI=1S/C14H25N3O/c1-2-7-17-8-5-13(6-9-17)16-14(18)11-3-4-12(15)10-11/h2,11-13H,1,3-10,15H2,(H,16,18)
InChIKeyLBQNEEQEXYXGSS-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-(1R,3S)-3-(piperidine-1-carbonyl)cyclopentan-1-amine hydrochloride
CID 165817657
3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119748901
3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 119748902
N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
CID 123174052
cis-(1R,3S)-3-amino-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide
CID 123919654
Cyclopentyl-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone
CID 8059784
N-cyclopentyl-N-prop-2-enylpiperidine-4-carboxamide
CID 54872298
N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
CID 54872309
4-amino-N-cyclopentyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 54872937
N-cyclopentyl-2-piperidin-4-yl-N-prop-2-enylacetamide
CID 54910633
3-piperidin-4-yl-N-propan-2-yl-N-prop-2-enylpropanamide
CID 55049289
2-cyclopentyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 60265363

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide (CID 119879095) is 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide is C=CCN1CCC(NC(=O)C2CCC(N)C2)CC1.
What is the InChIKey of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide?
The InChIKey is LBQNEEQEXYXGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-7-17-8-5-13(6-9-17)16-14(18)11-3-4-12(15)10-11/h2,11-13H,1,3-10,15H2,(H,16,18).
What are the key properties of 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide?
3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119879095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).