(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide

C25H30ClN3O — CID 69170647

IUPAC(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NC1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C25H30ClN3O/c26-23-5-3-21(4-6-23)22-11-15-29(16-12-22)18-20-1-7-24(17-20)28-25(30)8-2-19-9-13-27-14-10-19/h2-6,8-10,13-14,20,22,24H,1,7,11-12,15-18H2,(H,28,30)/b8-2+
InChIKeyQEZIFIBGHXGIDC-KRXBUXKQSA-N
MW423.99 g/mol
LogP4.91
Rot. Bonds6

About (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 69170647) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID69170647
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NC1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C25H30ClN3O/c26-23-5-3-21(4-6-23)22-11-15-29(16-12-22)18-20-1-7-24(17-20)28-25(30)8-2-19-9-13-27-14-10-19/h2-6,8-10,13-14,20,22,24H,1,7,11-12,15-18H2,(H,28,30)/b8-2+
InChIKeyQEZIFIBGHXGIDC-KRXBUXKQSA-N
XLogP4.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 54.91
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

(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide
CID 69172181
(E)-3-(3,5-difluorophenyl)-N-[3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]cyclopentyl]prop-2-enamide
CID 69172457
1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea
CID 25009535
(E)-1-[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]piperidin-1-yl]-3-(3,4-dichlorophenyl)prop-2-en-1-one
CID 25033361
(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 14967663
(E)-3-(3,4-dichlorophenyl)-N-[4-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 44533775
tert-butyl N-[(1S,3R)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 71064373
(E)-3-(2-chlorophenyl)-N-[4-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 44534307
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,3R)-3-[[(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]prop-2-enamide
CID 25009021
(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide
CID 97456591
(E)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 44533929

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide (CID 69170647) is (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1ccncc1)NC1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is QEZIFIBGHXGIDC-KRXBUXKQSA-N. The full InChI is InChI=1S/C25H30ClN3O/c26-23-5-3-21(4-6-23)22-11-15-29(16-12-22)18-20-1-7-24(17-20)28-25(30)8-2-19-9-13-27-14-10-19/h2-6,8-10,13-14,20,22,24H,1,7,11-12,15-18H2,(H,28,30)/b8-2+.
What are the key properties of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 423.99 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 69170647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).