N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide

C20H27N3O2 — CID 75417785

IUPACN-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(C(=O)/C=C/c2cccnc2)C1
InChIInChI=1S/C20H27N3O2/c24-19(11-10-16-6-4-12-21-14-16)23-13-5-7-17(15-23)20(25)22-18-8-2-1-3-9-18/h4,6,10-12,14,17-18H,1-3,5,7-9,13,15H2,(H,22,25)/b11-10+
InChIKeyHOVIDYMMTFLNTD-ZHACJKMWSA-N
MW341.45 g/mol
LogP2.78
Rot. Bonds4

About N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide

N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide (PubChem CID 75417785) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide
PubChem CID75417785
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(C(=O)/C=C/c2cccnc2)C1
InChIInChI=1S/C20H27N3O2/c24-19(11-10-16-6-4-12-21-14-16)23-13-5-7-17(15-23)20(25)22-18-8-2-1-3-9-18/h4,6,10-12,14,17-18H,1-3,5,7-9,13,15H2,(H,22,25)/b11-10+
InChIKeyHOVIDYMMTFLNTD-ZHACJKMWSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.78
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-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide
CID 91944030
(E)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 55064849
(E)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 103900724
N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 103598850
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
(E)-1-(3-benzylpyrrolidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 75407724
(E)-3-pyridin-3-yl-1-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132771672
3-pyridin-3-yl-1-[3-[[5-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 171147541
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
(E)-3-phenyl-1-(3-pyrazin-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 110102492

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide (CID 75417785) is N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(C(=O)/C=C/c2cccnc2)C1.
What is the InChIKey of N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide?
The InChIKey is HOVIDYMMTFLNTD-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(11-10-16-6-4-12-21-14-16)23-13-5-7-17(15-23)20(25)22-18-8-2-1-3-9-18/h4,6,10-12,14,17-18H,1-3,5,7-9,13,15H2,(H,22,25)/b11-10+.
What are the key properties of N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide?
N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide is sourced from PubChem (CID 75417785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).