N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C24H33N3O2S — CID 20940421

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C1
InChIInChI=1S/C24H33N3O2S/c1-19-7-5-11-26(18-19)12-6-10-25-23(28)22-17-21(20-8-3-2-4-9-20)24(30-22)27-13-15-29-16-14-27/h2-4,8-9,17,19H,5-7,10-16,18H2,1H3,(H,25,28)
InChIKeyNRWGCPGVSVCMKN-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.10
Rot. Bonds7

About N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 20940421) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID20940421
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C1
InChIInChI=1S/C24H33N3O2S/c1-19-7-5-11-26(18-19)12-6-10-25-23(28)22-17-21(20-8-3-2-4-9-20)24(30-22)27-13-15-29-16-14-27/h2-4,8-9,17,19H,5-7,10-16,18H2,1H3,(H,25,28)
InChIKeyNRWGCPGVSVCMKN-UHFFFAOYSA-N
XLogP4.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 95856416
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 41200888
5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide
CID 20940483
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869928
N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039625
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 20940455
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
7-chloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 92716718
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 20940421) is N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CC1CCCN(CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is NRWGCPGVSVCMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-19-7-5-11-26(18-19)12-6-10-25-23(28)22-17-21(20-8-3-2-4-9-20)24(30-22)27-13-15-29-16-14-27/h2-4,8-9,17,19H,5-7,10-16,18H2,1H3,(H,25,28).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 427.61 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).