N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide

C24H29N3O3S — CID 24674548

IUPACN-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)C2CCCCN2C(=O)c2cccs2)CC1
InChIInChI=1S/C24H29N3O3S/c28-22(25-17-18-7-2-1-3-8-18)19-11-14-26(15-12-19)23(29)20-9-4-5-13-27(20)24(30)21-10-6-16-31-21/h1-3,6-8,10,16,19-20H,4-5,9,11-15,17H2,(H,25,28)
InChIKeyODGILTRMJGTTBQ-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.30
Rot. Bonds5

About N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide

N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 24674548) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
PubChem CID24674548
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)C2CCCCN2C(=O)c2cccs2)CC1
InChIInChI=1S/C24H29N3O3S/c28-22(25-17-18-7-2-1-3-8-18)19-11-14-26(15-12-19)23(29)20-9-4-5-13-27(20)24(30)21-10-6-16-31-21/h1-3,6-8,10,16,19-20H,4-5,9,11-15,17H2,(H,25,28)
InChIKeyODGILTRMJGTTBQ-UHFFFAOYSA-N
XLogP3.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
(2S)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24516955
[4-(methylaminomethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119543284
(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53300888
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876209
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide (CID 24674548) is N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)C2CCCCN2C(=O)c2cccs2)CC1.
What is the InChIKey of N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is ODGILTRMJGTTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c28-22(25-17-18-7-2-1-3-8-18)19-11-14-26(15-12-19)23(29)20-9-4-5-13-27(20)24(30)21-10-6-16-31-21/h1-3,6-8,10,16,19-20H,4-5,9,11-15,17H2,(H,25,28).
What are the key properties of N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide?
N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 24674548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).