N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C18H23BrN4OS — CID 138999740

IUPACN-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(Br)s2)CCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C18H23BrN4OS/c19-16-5-4-15(25-16)18(7-2-8-18)12-20-17(24)23-10-1-3-13(11-23)14-6-9-21-22-14/h4-6,9,13H,1-3,7-8,10-12H2,(H,20,24)(H,21,22)
InChIKeyRBTNCRUGELQLRE-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.24
Rot. Bonds4

About N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 138999740) has the molecular formula C18H23BrN4OS and a molecular weight of 423.38 g/mol. Its IUPAC name is N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID138999740
Molecular FormulaC18H23BrN4OS
Molecular Weight423.38 g/mol
Exact Mass422.08
IUPAC NameN-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(Br)s2)CCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C18H23BrN4OS/c19-16-5-4-15(25-16)18(7-2-8-18)12-20-17(24)23-10-1-3-13(11-23)14-6-9-21-22-14/h4-6,9,13H,1-3,7-8,10-12H2,(H,20,24)(H,21,22)
InChIKeyRBTNCRUGELQLRE-UHFFFAOYSA-N
XLogP4.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide
CID 138998629
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea
CID 154745564
(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615352
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615298
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 54878215
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 95768398

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 138999740) is N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(NCC1(c2ccc(Br)s2)CCC1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is RBTNCRUGELQLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4OS/c19-16-5-4-15(25-16)18(7-2-8-18)12-20-17(24)23-10-1-3-13(11-23)14-6-9-21-22-14/h4-6,9,13H,1-3,7-8,10-12H2,(H,20,24)(H,21,22).
What are the key properties of N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 423.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138999740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).