N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C19H20N4O2 — CID 47090845

IUPACN,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#CCN(CC#N)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c20-10-14-23(15-11-21)19(25)17-8-12-22(13-9-17)18(24)7-6-16-4-2-1-3-5-16/h1-7,17H,8-9,12-15H2/b7-6+
InChIKeyIWARIIAJEQOXHM-VOTSOKGWSA-N
MW336.39 g/mol
LogP1.81
Rot. Bonds5

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

N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 47090845) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID47090845
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#CCN(CC#N)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c20-10-14-23(15-11-21)19(25)17-8-12-22(13-9-17)18(24)7-6-16-4-2-1-3-5-16/h1-7,17H,8-9,12-15H2/b7-6+
InChIKeyIWARIIAJEQOXHM-VOTSOKGWSA-N
XLogP1.81
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531034
N-methyl-N-(2-methylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 134058612
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 51323600
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
N-(1-cyanocyclobutyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 71883038
N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 75364452
N-cyclopropyl-N-(1-cyclopropylethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47026013
N-benzyl-N-methyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693660
methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78878024
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 47090845) is N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is N#CCN(CC#N)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is IWARIIAJEQOXHM-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-10-14-23(15-11-21)19(25)17-8-12-22(13-9-17)18(24)7-6-16-4-2-1-3-5-16/h1-7,17H,8-9,12-15H2/b7-6+.
What are the key properties of N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 47090845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).