N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide

C21H24N2O3 — CID 97014740

IUPACN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c24-20(15-6-2-1-3-7-15)16-10-12-23(13-11-16)21(25)22-18-14-26-19-9-5-4-8-17(18)19/h1-9,16,18,20,24H,10-14H2,(H,22,25)/t18-,20+/m0/s1
InChIKeyOVZLECHRIIWYGQ-AZUAARDMSA-N
MW352.43 g/mol
LogP3.28
Rot. Bonds3

About N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide

N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide (PubChem CID 97014740) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
PubChem CID97014740
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c24-20(15-6-2-1-3-7-15)16-10-12-23(13-11-16)21(25)22-18-14-26-19-9-5-4-8-17(18)19/h1-9,16,18,20,24H,10-14H2,(H,22,25)/t18-,20+/m0/s1
InChIKeyOVZLECHRIIWYGQ-AZUAARDMSA-N
XLogP3.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 97014738
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
N-cyclohex-3-en-1-yl-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 111435340
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064
4-[(R)-hydroxy(phenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 30598601
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide
CID 111482912
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide (CID 97014740) is N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide is O=C(N[C@H]1COc2ccccc21)N1CCC([C@H](O)c2ccccc2)CC1.
What is the InChIKey of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The InChIKey is OVZLECHRIIWYGQ-AZUAARDMSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(15-6-2-1-3-7-15)16-10-12-23(13-11-16)21(25)22-18-14-26-19-9-5-4-8-17(18)19/h1-9,16,18,20,24H,10-14H2,(H,22,25)/t18-,20+/m0/s1.
What are the key properties of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide?
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97014740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).