N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C27H32N2OS — CID 35269814

IUPACN-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccsc1CN1CCC(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2OS/c1-21-15-19-31-26(21)20-29-17-13-24(14-18-29)27(30)28-16-12-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,15,19,24-25H,12-14,16-18,20H2,1H3,(H,28,30)
InChIKeyPTMJFTIWASRLLX-UHFFFAOYSA-N
MW432.63 g/mol
LogP5.61
Rot. Bonds8

About N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 35269814) has the molecular formula C27H32N2OS and a molecular weight of 432.63 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID35269814
Molecular FormulaC27H32N2OS
Molecular Weight432.63 g/mol
Exact Mass432.22
IUPAC NameN-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccsc1CN1CCC(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2OS/c1-21-15-19-31-26(21)20-29-17-13-24(14-18-29)27(30)28-16-12-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,15,19,24-25H,12-14,16-18,20H2,1H3,(H,28,30)
InChIKeyPTMJFTIWASRLLX-UHFFFAOYSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 3932347
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 807320
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611269
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate
CID 46680385
1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 22111004
1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 25224577
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 35269814) is N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is Cc1ccsc1CN1CCC(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PTMJFTIWASRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2OS/c1-21-15-19-31-26(21)20-29-17-13-24(14-18-29)27(30)28-16-12-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,15,19,24-25H,12-14,16-18,20H2,1H3,(H,28,30).
What are the key properties of N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 35269814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).