N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide

C27H32N2OS — CID 42858227

IUPACN-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H32N2OS/c1-20(2)23-10-8-22(9-11-23)19-28-16-14-25(15-17-28)29(24-12-6-21(3)7-13-24)27(30)26-5-4-18-31-26/h4-13,18,20,25H,14-17,19H2,1-3H3
InChIKeyZSGMPTWJZRFVJV-UHFFFAOYSA-N
MW432.63 g/mol
LogP6.49
Rot. Bonds6

About N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide

N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 42858227) has the molecular formula C27H32N2OS and a molecular weight of 432.63 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID42858227
Molecular FormulaC27H32N2OS
Molecular Weight432.63 g/mol
Exact Mass432.22
IUPAC NameN-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H32N2OS/c1-20(2)23-10-8-22(9-11-23)19-28-16-14-25(15-17-28)29(24-12-6-21(3)7-13-24)27(30)26-5-4-18-31-26/h4-13,18,20,25H,14-17,19H2,1-3H3
InChIKeyZSGMPTWJZRFVJV-UHFFFAOYSA-N
XLogP6.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154
N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46161870
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 42853268
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292
N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]propanamide
CID 46054442
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 42858063
3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055277
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
CID 42858031
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide
CID 46054625

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide (CID 42858227) is N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide is Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is ZSGMPTWJZRFVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2OS/c1-20(2)23-10-8-22(9-11-23)19-28-16-14-25(15-17-28)29(24-12-6-21(3)7-13-24)27(30)26-5-4-18-31-26/h4-13,18,20,25H,14-17,19H2,1-3H3.
What are the key properties of N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42858227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).