4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide

C18H24ClN3OS — CID 52537373

IUPAC4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1
InChIInChI=1S/C18H24ClN3OS/c1-13-4-2-8-22(12-13)9-3-7-21-18(23)15-11-20-10-14(15)16-5-6-17(19)24-16/h5-6,10-11,13,20H,2-4,7-9,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeySMIKOISPGCBGMT-ZDUSSCGKSA-N
MW365.93 g/mol
LogP4.25
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide (PubChem CID 52537373) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide
PubChem CID52537373
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1
InChIInChI=1S/C18H24ClN3OS/c1-13-4-2-8-22(12-13)9-3-7-21-18(23)15-11-20-10-14(15)16-5-6-17(19)24-16/h5-6,10-11,13,20H,2-4,7-9,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeySMIKOISPGCBGMT-ZDUSSCGKSA-N
XLogP4.25
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 75405279
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 53278155
7-chloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 92716718
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide (CID 52537373) is 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide is C[C@H]1CCCN(CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is SMIKOISPGCBGMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c1-13-4-2-8-22(12-13)9-3-7-21-18(23)15-11-20-10-14(15)16-5-6-17(19)24-16/h5-6,10-11,13,20H,2-4,7-9,12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 365.93 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 52537373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).