1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide

C24H27ClN4O5S — CID 69055139

IUPAC1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(Cl)s2)(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)CC1
InChIInChI=1S/C24H27ClN4O5S/c1-15-13-17(3-4-18(15)29-11-12-34-14-21(29)31)26-23(33)24(7-9-28(10-8-24)16(2)30)27-22(32)19-5-6-20(25)35-19/h3-6,13H,7-12,14H2,1-2H3,(H,26,33)(H,27,32)
InChIKeyUJONUPBRAMPFJS-UHFFFAOYSA-N
MW519.02 g/mol
LogP2.82
Rot. Bonds5

About 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide

1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 69055139) has the molecular formula C24H27ClN4O5S and a molecular weight of 519.02 g/mol. Its IUPAC name is 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID69055139
Molecular FormulaC24H27ClN4O5S
Molecular Weight519.02 g/mol
Exact Mass518.14
IUPAC Name1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(Cl)s2)(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)CC1
InChIInChI=1S/C24H27ClN4O5S/c1-15-13-17(3-4-18(15)29-11-12-34-14-21(29)31)26-23(33)24(7-9-28(10-8-24)16(2)30)27-22(32)19-5-6-20(25)35-19/h3-6,13H,7-12,14H2,1-2H3,(H,26,33)(H,27,32)
InChIKeyUJONUPBRAMPFJS-UHFFFAOYSA-N
XLogP2.82
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.02
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chlorothiophen-2-yl) N-[1-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]cyclobutyl]carbamate
CID 91247668
(5-bromothiophen-2-yl) N-[1-acetyl-4-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]piperidin-4-yl]carbamate
CID 91387562
(5-chlorothiophen-2-yl) N-[1-methyl-3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 91255385
5-ethynyl-N-[3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]-1,1-dioxothietan-3-yl]thiophene-2-carboxamide
CID 11663123
tert-butyl N-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]carbamate
CID 68884023
4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
CID 68883498
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-methyliminomorpholin-4-yl)phenyl]-2H-furan-3-carboxamide
CID 163822699
3-[(5-bromothiophene-2-carbonyl)amino]-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]oxetane-3-carboxamide
CID 69053440
5-bromo-N-[1-[[4-(3-iminomorpholin-4-yl)-3-methylphenyl]carbamoyl]cyclobutyl]thiophene-2-carboxamide
CID 69055172
tert-butyl N-[(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-4-oxobutyl]carbamate
CID 68883502
tert-butyl N-[4-[(5-chlorothiophene-2-carbonyl)amino]-5-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-5-oxopentyl]carbamate
CID 68886814
5-bromo-N-[1-[[4-(3-cyanoiminomorpholin-4-yl)-3-methylphenyl]carbamoyl]cyclobutyl]thiophene-2-carboxamide
CID 87675729

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide (CID 69055139) is 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(NC(=O)c2ccc(Cl)s2)(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)CC1.
What is the InChIKey of 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is UJONUPBRAMPFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5S/c1-15-13-17(3-4-18(15)29-11-12-34-14-21(29)31)26-23(33)24(7-9-28(10-8-24)16(2)30)27-22(32)19-5-6-20(25)35-19/h3-6,13H,7-12,14H2,1-2H3,(H,26,33)(H,27,32).
What are the key properties of 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide?
1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 519.02 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 69055139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).