N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C24H31N3O2S — CID 78879741

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)C3CCCCN3C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C24H31N3O2S/c1-18-6-4-7-19(16-18)17-26-13-10-20(11-14-26)25-23(28)21-8-2-3-12-27(21)24(29)22-9-5-15-30-22/h4-7,9,15-16,20-21H,2-3,8,10-14,17H2,1H3,(H,25,28)
InChIKeyNBWIDZQWMZOSQU-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.83
Rot. Bonds5

About N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78879741) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78879741
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)C3CCCCN3C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C24H31N3O2S/c1-18-6-4-7-19(16-18)17-26-13-10-20(11-14-26)25-23(28)21-8-2-3-12-27(21)24(29)22-9-5-15-30-22/h4-7,9,15-16,20-21H,2-3,8,10-14,17H2,1H3,(H,25,28)
InChIKeyNBWIDZQWMZOSQU-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
1-(benzenesulfonyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55735445
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 92954382
(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94473764
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
N-(1-benzylpiperidin-4-yl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42696104
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8710296
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18163760

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78879741) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is Cc1cccc(CN2CCC(NC(=O)C3CCCCN3C(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is NBWIDZQWMZOSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-18-6-4-7-19(16-18)17-26-13-10-20(11-14-26)25-23(28)21-8-2-3-12-27(21)24(29)22-9-5-15-30-22/h4-7,9,15-16,20-21H,2-3,8,10-14,17H2,1H3,(H,25,28).
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 425.60 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78879741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).