N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide

C28H34N2O3 — CID 142821284

IUPACN-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide
SMILESCOC1=CCCC=C1C(=O)NCC1(c2cccc(OC)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H34N2O3/c1-32-24-12-8-11-23(19-24)28(21-29-27(31)25-13-6-7-14-26(25)33-2)15-17-30(18-16-28)20-22-9-4-3-5-10-22/h3-5,8-14,19H,6-7,15-18,20-21H2,1-2H3,(H,29,31)
InChIKeyDAMRGRUASDHYKI-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.60
Rot. Bonds8

About N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide

N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide (PubChem CID 142821284) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide
PubChem CID142821284
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide
SMILESCOC1=CCCC=C1C(=O)NCC1(c2cccc(OC)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H34N2O3/c1-32-24-12-8-11-23(19-24)28(21-29-27(31)25-13-6-7-14-26(25)33-2)15-17-30(18-16-28)20-22-9-4-3-5-10-22/h3-5,8-14,19H,6-7,15-18,20-21H2,1-2H3,(H,29,31)
InChIKeyDAMRGRUASDHYKI-UHFFFAOYSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
4-[[[1-(3-methoxyphenyl)cyclopropyl]methylcarbamoylamino]methyl]benzoic acid
CID 122014637
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepan-4-yl]methyl]benzamide
CID 58851192
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
1-[2-(3-methoxyphenyl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213849
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide (CID 142821284) is N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide is COC1=CCCC=C1C(=O)NCC1(c2cccc(OC)c2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide?
The InChIKey is DAMRGRUASDHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-32-24-12-8-11-23(19-24)28(21-29-27(31)25-13-6-7-14-26(25)33-2)15-17-30(18-16-28)20-22-9-4-3-5-10-22/h3-5,8-14,19H,6-7,15-18,20-21H2,1-2H3,(H,29,31).
What are the key properties of N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide?
N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 142821284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).