4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide

C20H27N3O3 — CID 72923232

IUPAC4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCN([C@H]4CCCC[C@@H]4O)CC3)ccc2o1
InChIInChI=1S/C20H27N3O3/c1-14-12-15-13-16(6-7-19(15)26-14)21-20(25)23-10-8-22(9-11-23)17-4-2-3-5-18(17)24/h6-7,12-13,17-18,24H,2-5,8-11H2,1H3,(H,21,25)/t17-,18-/m0/s1
InChIKeyIWDZEZNCHXBJAR-ROUUACIJSA-N
MW357.45 g/mol
LogP3.19
Rot. Bonds2

About 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide

4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide (PubChem CID 72923232) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
PubChem CID72923232
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCN([C@H]4CCCC[C@@H]4O)CC3)ccc2o1
InChIInChI=1S/C20H27N3O3/c1-14-12-15-13-16(6-7-19(15)26-14)21-20(25)23-10-8-22(9-11-23)17-4-2-3-5-18(17)24/h6-7,12-13,17-18,24H,2-5,8-11H2,1H3,(H,21,25)/t17-,18-/m0/s1
InChIKeyIWDZEZNCHXBJAR-ROUUACIJSA-N
XLogP3.19
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
4-[(1S,2R)-2-hydroxycyclopentyl]-N-(4-methyl-3-nitrophenyl)piperazine-1-carboxamide
CID 95151678
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide
CID 72878185
4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
CID 72913425
N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide
CID 133115452
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide (CID 72923232) is 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide is Cc1cc2cc(NC(=O)N3CCN([C@H]4CCCC[C@@H]4O)CC3)ccc2o1.
What is the InChIKey of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide?
The InChIKey is IWDZEZNCHXBJAR-ROUUACIJSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-12-15-13-16(6-7-19(15)26-14)21-20(25)23-10-8-22(9-11-23)17-4-2-3-5-18(17)24/h6-7,12-13,17-18,24H,2-5,8-11H2,1H3,(H,21,25)/t17-,18-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide?
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72923232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).