N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide

C26H35N3O3S — CID 55836288

IUPACN-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C26H35N3O3S/c1-3-4-12-27(2)24(30)21-10-13-28(14-11-21)25(31)23-19-22(20-8-6-5-7-9-20)26(33-23)29-15-17-32-18-16-29/h5-9,19,21H,3-4,10-18H2,1-2H3
InChIKeyRAKXPLKFIGRTFE-UHFFFAOYSA-N
MW469.65 g/mol
LogP4.36
Rot. Bonds7

About N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55836288) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID55836288
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C26H35N3O3S/c1-3-4-12-27(2)24(30)21-10-13-28(14-11-21)25(31)23-19-22(20-8-6-5-7-9-20)26(33-23)29-15-17-32-18-16-29/h5-9,19,21H,3-4,10-18H2,1-2H3
InChIKeyRAKXPLKFIGRTFE-UHFFFAOYSA-N
XLogP4.36
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 134008677
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
[2-oxo-2-(pentylamino)ethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126737

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 55836288) is N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is RAKXPLKFIGRTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-3-4-12-27(2)24(30)21-10-13-28(14-11-21)25(31)23-19-22(20-8-6-5-7-9-20)26(33-23)29-15-17-32-18-16-29/h5-9,19,21H,3-4,10-18H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 469.65 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55836288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).