N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide

C15H19BrN4OS — CID 75463411

IUPACN-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCn2cc(Br)cn2)CC1)c1ccsc1
InChIInChI=1S/C15H19BrN4OS/c16-13-9-17-20(10-13)7-6-19-4-1-14(2-5-19)18-15(21)12-3-8-22-11-12/h3,8-11,14H,1-2,4-7H2,(H,18,21)
InChIKeyKNDBDLRLBCUSHS-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.60
Rot. Bonds5

About N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 75463411) has the molecular formula C15H19BrN4OS and a molecular weight of 383.32 g/mol. Its IUPAC name is N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID75463411
Molecular FormulaC15H19BrN4OS
Molecular Weight383.32 g/mol
Exact Mass382.05
IUPAC NameN-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCn2cc(Br)cn2)CC1)c1ccsc1
InChIInChI=1S/C15H19BrN4OS/c16-13-9-17-20(10-13)7-6-19-4-1-14(2-5-19)18-15(21)12-3-8-22-11-12/h3,8-11,14H,1-2,4-7H2,(H,18,21)
InChIKeyKNDBDLRLBCUSHS-UHFFFAOYSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 131960395
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549640
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide (CID 75463411) is N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(CCn2cc(Br)cn2)CC1)c1ccsc1.
What is the InChIKey of N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is KNDBDLRLBCUSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4OS/c16-13-9-17-20(10-13)7-6-19-4-1-14(2-5-19)18-15(21)12-3-8-22-11-12/h3,8-11,14H,1-2,4-7H2,(H,18,21).
What are the key properties of N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 383.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 75463411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).