N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C20H23N3O2 — CID 75364452

IUPACN-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#CC1(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CCC1
InChIInChI=1S/C20H23N3O2/c21-15-20(11-4-12-20)22-19(25)17-9-13-23(14-10-17)18(24)8-7-16-5-2-1-3-6-16/h1-3,5-8,17H,4,9-14H2,(H,22,25)/b8-7+
InChIKeyKJHAFUWSNOXBSA-BQYQJAHWSA-N
MW337.42 g/mol
LogP2.50
Rot. Bonds4

About N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 75364452) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID75364452
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#CC1(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CCC1
InChIInChI=1S/C20H23N3O2/c21-15-20(11-4-12-20)22-19(25)17-9-13-23(14-10-17)18(24)8-7-16-5-2-1-3-6-16/h1-3,5-8,17H,4,9-14H2,(H,22,25)/b8-7+
InChIKeyKJHAFUWSNOXBSA-BQYQJAHWSA-N
XLogP2.50
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocyclobutyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 71883038
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47090845
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 32951936
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
N'-[2-(4-fluorophenyl)acetyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43005507
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 43073880

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 75364452) is N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is N#CC1(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is KJHAFUWSNOXBSA-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-15-20(11-4-12-20)22-19(25)17-9-13-23(14-10-17)18(24)8-7-16-5-2-1-3-6-16/h1-3,5-8,17H,4,9-14H2,(H,22,25)/b8-7+.
What are the key properties of N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 75364452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).