N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

C20H20Cl2N4OS — CID 127049217

IUPACN-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1
InChIInChI=1S/C20H20Cl2N4OS/c1-26-17(4-7-24-26)13-10-18(28-12-13)19(27)25-20(5-8-23-9-6-20)14-2-3-15(21)16(22)11-14/h2-4,7,10-12,23H,5-6,8-9H2,1H3,(H,25,27)
InChIKeyYESJTXPZJYRSEE-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.46
Rot. Bonds4

About N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 127049217) has the molecular formula C20H20Cl2N4OS and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID127049217
Molecular FormulaC20H20Cl2N4OS
Molecular Weight435.38 g/mol
Exact Mass434.07
IUPAC NameN-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1
InChIInChI=1S/C20H20Cl2N4OS/c1-26-17(4-7-24-26)13-10-18(28-12-13)19(27)25-20(5-8-23-9-6-20)14-2-3-15(21)16(22)11-14/h2-4,7,10-12,23H,5-6,8-9H2,1H3,(H,25,27)
InChIKeyYESJTXPZJYRSEE-UHFFFAOYSA-N
XLogP4.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Afuresertib
CID 46843057
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155511113
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 57826797
Afuresertib Hydrochloride
CID 46843056
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214
4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 127049215
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155512930
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide
CID 155515321
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155521934
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-yl]thiophene-2-carboxamide
CID 155523241
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155523979

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 127049217) is N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is Cn1nccc1-c1csc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is YESJTXPZJYRSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4OS/c1-26-17(4-7-24-26)13-10-18(28-12-13)19(27)25-20(5-8-23-9-6-20)14-2-3-15(21)16(22)11-14/h2-4,7,10-12,23H,5-6,8-9H2,1H3,(H,25,27).
What are the key properties of N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 127049217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).