N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C21H23N3O3 — CID 167876855

IUPACN-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1ccc2c(c1)CNC2
InChIInChI=1S/C21H23N3O3/c25-19-6-8-24(9-7-19)21(27)15-2-1-3-18(11-15)23-20(26)14-4-5-16-12-22-13-17(16)10-14/h1-5,10-11,19,22,25H,6-9,12-13H2,(H,23,26)
InChIKeyRVVMXQGFMCZZHW-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.14
Rot. Bonds3

About N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 167876855) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID167876855
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1ccc2c(c1)CNC2
InChIInChI=1S/C21H23N3O3/c25-19-6-8-24(9-7-19)21(27)15-2-1-3-18(11-15)23-20(26)14-4-5-16-12-22-13-17(16)10-14/h1-5,10-11,19,22,25H,6-9,12-13H2,(H,23,26)
InChIKeyRVVMXQGFMCZZHW-UHFFFAOYSA-N
XLogP2.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
CID 56511594
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998831
N-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997874
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 107217446
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 167876855) is N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is RVVMXQGFMCZZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-6-8-24(9-7-19)21(27)15-2-1-3-18(11-15)23-20(26)14-4-5-16-12-22-13-17(16)10-14/h1-5,10-11,19,22,25H,6-9,12-13H2,(H,23,26).
What are the key properties of N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 167876855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).