N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide

C32H42N2O4 — CID 42705625

IUPACN-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(=O)N2CCC(CN(C/C(C)=C/c3ccccc3)C(=O)C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C32H42N2O4/c1-24(20-25-10-6-4-7-11-25)22-34(31(35)27-12-8-5-9-13-27)23-26-16-18-33(19-17-26)32(36)29-15-14-28(37-2)21-30(29)38-3/h4,6-7,10-11,14-15,20-21,26-27H,5,8-9,12-13,16-19,22-23H2,1-3H3/b24-20+
InChIKeyDGWZGCPYKCAZMY-HIXSDJFHSA-N
MW518.70 g/mol
LogP6.07
Rot. Bonds9

About N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide

N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide (PubChem CID 42705625) has the molecular formula C32H42N2O4 and a molecular weight of 518.70 g/mol. Its IUPAC name is N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide
PubChem CID42705625
Molecular FormulaC32H42N2O4
Molecular Weight518.70 g/mol
Exact Mass518.31
IUPAC NameN-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(=O)N2CCC(CN(C/C(C)=C/c3ccccc3)C(=O)C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C32H42N2O4/c1-24(20-25-10-6-4-7-11-25)22-34(31(35)27-12-8-5-9-13-27)23-26-16-18-33(19-17-26)32(36)29-15-14-28(37-2)21-30(29)38-3/h4,6-7,10-11,14-15,20-21,26-27H,5,8-9,12-13,16-19,22-23H2,1-3H3/b24-20+
InChIKeyDGWZGCPYKCAZMY-HIXSDJFHSA-N
XLogP6.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
CID 3653521
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 68682538
(2-amino-5-methoxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114234
2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45210338

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide (CID 42705625) is N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide is COc1ccc(C(=O)N2CCC(CN(C/C(C)=C/c3ccccc3)C(=O)C3CCCCC3)CC2)c(OC)c1.
What is the InChIKey of N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide?
The InChIKey is DGWZGCPYKCAZMY-HIXSDJFHSA-N. The full InChI is InChI=1S/C32H42N2O4/c1-24(20-25-10-6-4-7-11-25)22-34(31(35)27-12-8-5-9-13-27)23-26-16-18-33(19-17-26)32(36)29-15-14-28(37-2)21-30(29)38-3/h4,6-7,10-11,14-15,20-21,26-27H,5,8-9,12-13,16-19,22-23H2,1-3H3/b24-20+.
What are the key properties of N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide?
N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide has a molecular weight of 518.70 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclohexanecarboxamide is sourced from PubChem (CID 42705625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).