2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide

C15H27N3O — CID 106640094

IUPAC2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H27N3O/c1-3-8-17-15(19)12(2)18(14-6-7-14)11-13-5-4-9-16-10-13/h3,12-14,16H,1,4-11H2,2H3,(H,17,19)
InChIKeyIMTBWNMZAWXJDR-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.14
Rot. Bonds7

About 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide

2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide (PubChem CID 106640094) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide
PubChem CID106640094
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H27N3O/c1-3-8-17-15(19)12(2)18(14-6-7-14)11-13-5-4-9-16-10-13/h3,12-14,16H,1,4-11H2,2H3,(H,17,19)
InChIKeyIMTBWNMZAWXJDR-UHFFFAOYSA-N
XLogP1.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.14
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

2-piperidin-3-yl-N-prop-2-enylacetamide
CID 62676827
2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
CID 106636555
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106636258
N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640908
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 79703748
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714
2-[methyl(piperidin-3-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106636671
2-[ethyl(piperidin-3-yl)amino]-N-pentylpropanamide
CID 63638698
N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 53410806
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide (CID 106640094) is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is IMTBWNMZAWXJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-17-15(19)12(2)18(14-6-7-14)11-13-5-4-9-16-10-13/h3,12-14,16H,1,4-11H2,2H3,(H,17,19).
What are the key properties of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide?
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 106640094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).