(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide

C21H29ClN2O — CID 97456591

IUPAC(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)NC2CCN(CC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C21H29ClN2O/c1-16-6-7-17(14-20(16)22)8-9-21(25)23-19-10-12-24(13-11-19)15-18-4-2-3-5-18/h6-9,14,18-19H,2-5,10-13,15H2,1H3,(H,23,25)/b9-8-
InChIKeyNLZVRZMJFKEXQL-HJWRWDBZSA-N
MW360.93 g/mol
LogP4.43
Rot. Bonds5

About (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide

(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide (PubChem CID 97456591) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide
PubChem CID97456591
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC Name(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)NC2CCN(CC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C21H29ClN2O/c1-16-6-7-17(14-20(16)22)8-9-21(25)23-19-10-12-24(13-11-19)15-18-4-2-3-5-18/h6-9,14,18-19H,2-5,10-13,15H2,1H3,(H,23,25)/b9-8-
InChIKeyNLZVRZMJFKEXQL-HJWRWDBZSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dichlorophenyl)-N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 9264869
(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
3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976919
3-(3-chloro-4-methylphenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 77050308
(E)-3-(3-chloro-4-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]prop-2-enamide
CID 55708616
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
CID 8590280
ethyl 3-[5-chloro-6-[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoate
CID 90728569
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
CID 73014365
(E)-3-(3-chloro-4-methylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
CID 107847320
3-(3,4-dichlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 44526997
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-cyclopentylprop-2-enamide
CID 9213962

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide (CID 97456591) is (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide is Cc1ccc(/C=C\C(=O)NC2CCN(CC3CCCC3)CC2)cc1Cl.
What is the InChIKey of (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is NLZVRZMJFKEXQL-HJWRWDBZSA-N. The full InChI is InChI=1S/C21H29ClN2O/c1-16-6-7-17(14-20(16)22)8-9-21(25)23-19-10-12-24(13-11-19)15-18-4-2-3-5-18/h6-9,14,18-19H,2-5,10-13,15H2,1H3,(H,23,25)/b9-8-.
What are the key properties of (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide?
(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 360.93 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 97456591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).