N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H24N4OS — CID 26334914

IUPACN-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3s2)CC1)C1CC1
InChIInChI=1S/C21H24N4OS/c26-21(15-5-6-15)23-20-7-10-22-25(20)17-8-11-24(12-9-17)14-18-13-16-3-1-2-4-19(16)27-18/h1-4,7,10,13,15,17H,5-6,8-9,11-12,14H2,(H,23,26)
InChIKeyUQKCSZBPAYGXDC-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.28
Rot. Bonds5

About N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 26334914) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID26334914
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3s2)CC1)C1CC1
InChIInChI=1S/C21H24N4OS/c26-21(15-5-6-15)23-20-7-10-22-25(20)17-8-11-24(12-9-17)14-18-13-16-3-1-2-4-19(16)27-18/h1-4,7,10,13,15,17H,5-6,8-9,11-12,14H2,(H,23,26)
InChIKeyUQKCSZBPAYGXDC-UHFFFAOYSA-N
XLogP4.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
CID 26329645
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26322158
N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 42216536
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24818917
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24816873
N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56742072
(3S)-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26329095
(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42466671
N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 26404364
(3R)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42288539

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 26334914) is N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3s2)CC1)C1CC1.
What is the InChIKey of N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is UQKCSZBPAYGXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c26-21(15-5-6-15)23-20-7-10-22-25(20)17-8-11-24(12-9-17)14-18-13-16-3-1-2-4-19(16)27-18/h1-4,7,10,13,15,17H,5-6,8-9,11-12,14H2,(H,23,26).
What are the key properties of N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 380.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 26334914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).