4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide

C19H25N3O — CID 110314986

IUPAC4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C#N)CC2)c1
InChIInChI=1S/C19H25N3O/c1-14(2)16-6-5-7-17(12-16)19(3,4)21-18(23)22-10-8-15(13-20)9-11-22/h5-7,12,15H,1,8-11H2,2-4H3,(H,21,23)
InChIKeyWEJQJWWRHMEXRW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.90
Rot. Bonds3

About 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide

4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 110314986) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID110314986
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C#N)CC2)c1
InChIInChI=1S/C19H25N3O/c1-14(2)16-6-5-7-17(12-16)19(3,4)21-18(23)22-10-8-15(13-20)9-11-22/h5-7,12,15H,1,8-11H2,2-4H3,(H,21,23)
InChIKeyWEJQJWWRHMEXRW-UHFFFAOYSA-N
XLogP3.90
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (CID 110314986) is 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C#N)CC2)c1.
What is the InChIKey of 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is WEJQJWWRHMEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)16-6-5-7-17(12-16)19(3,4)21-18(23)22-10-8-15(13-20)9-11-22/h5-7,12,15H,1,8-11H2,2-4H3,(H,21,23).
What are the key properties of 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 110314986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).