N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

C29H34N4O2S — CID 117079965

IUPACN-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)cc2)CC1
InChIInChI=1S/C29H34N4O2S/c1-31-17-19-33(20-18-31)29(35)24-9-7-23(8-10-24)26-11-12-27(36-26)28(34)30-25-13-15-32(16-14-25)21-22-5-3-2-4-6-22/h2-12,25H,13-21H2,1H3,(H,30,34)
InChIKeyBJBFHUVENVAZOP-UHFFFAOYSA-N
MW502.68 g/mol
LogP4.20
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 117079965) has the molecular formula C29H34N4O2S and a molecular weight of 502.68 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID117079965
Molecular FormulaC29H34N4O2S
Molecular Weight502.68 g/mol
Exact Mass502.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)cc2)CC1
InChIInChI=1S/C29H34N4O2S/c1-31-17-19-33(20-18-31)29(35)24-9-7-23(8-10-24)26-11-12-27(36-26)28(34)30-25-13-15-32(16-14-25)21-22-5-3-2-4-6-22/h2-12,25H,13-21H2,1H3,(H,30,34)
InChIKeyBJBFHUVENVAZOP-UHFFFAOYSA-N
XLogP4.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.68
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
CID 117091590
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
[9-[(1-benzylpiperidin-4-yl)amino]acridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11698881
N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide
CID 3811032

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 117079965) is N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)cc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is BJBFHUVENVAZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2S/c1-31-17-19-33(20-18-31)29(35)24-9-7-23(8-10-24)26-11-12-27(36-26)28(34)30-25-13-15-32(16-14-25)21-22-5-3-2-4-6-22/h2-12,25H,13-21H2,1H3,(H,30,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 502.68 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 117079965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).