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

C24H29ClN2O2 — CID 69172181

IUPAC(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H29ClN2O2/c25-22-5-3-20(4-6-22)21-9-12-27(13-10-21)16-19-1-7-23(15-19)26-24(28)8-2-18-11-14-29-17-18/h2-6,8,11,14,17,19,21,23H,1,7,9-10,12-13,15-16H2,(H,26,28)/b8-2+
InChIKeyNNHUUAYLBPVADM-KRXBUXKQSA-N
MW412.96 g/mol
LogP5.11
Rot. Bonds6

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

(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide (PubChem CID 69172181) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide
PubChem CID69172181
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H29ClN2O2/c25-22-5-3-20(4-6-22)21-9-12-27(13-10-21)16-19-1-7-23(15-19)26-24(28)8-2-18-11-14-29-17-18/h2-6,8,11,14,17,19,21,23H,1,7,9-10,12-13,15-16H2,(H,26,28)/b8-2+
InChIKeyNNHUUAYLBPVADM-KRXBUXKQSA-N
XLogP5.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.96
LogP ≤ 55.11
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-pyridin-4-ylprop-2-enamide
CID 69170647
(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
tert-butyl N-[(1S,3R)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 71064373
(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-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,3R)-3-[[(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]prop-2-enamide
CID 25009021
(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
(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide
CID 97456591
[3-[(4aS,6R,8aR)-2-(cyclopropylmethyl)-6-[3-(furan-3-yl)prop-2-enoylamino]-8a-hydroxy-3,4,5,6,7,8-hexahydro-1H-isoquinolin-4a-yl]phenyl] acetate
CID 67668288
5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide
CID 25007999
(E)-N-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl)-3-phenylprop-2-enamide
CID 91815978

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide (CID 69172181) is (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide is O=C(/C=C/c1ccoc1)NC1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide?
The InChIKey is NNHUUAYLBPVADM-KRXBUXKQSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c25-22-5-3-20(4-6-22)21-9-12-27(13-10-21)16-19-1-7-23(15-19)26-24(28)8-2-18-11-14-29-17-18/h2-6,8,11,14,17,19,21,23H,1,7,9-10,12-13,15-16H2,(H,26,28)/b8-2+.
What are the key properties of (E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide?
(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide has a molecular weight of 412.96 g/mol, XLogP of 5.11, 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-(furan-3-yl)prop-2-enamide is sourced from PubChem (CID 69172181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).