N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide

C22H27N3O2 — CID 69208256

IUPACN-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
SMILESC[C@](O)(NC(=O)C1(N2CCNCC2)CCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-21(27,18-8-3-2-4-9-18)24-20(26)22(25-15-13-23-14-16-25)12-11-17-7-5-6-10-19(17)22/h2-10,23,27H,11-16H2,1H3,(H,24,26)/t21-,22?/m1/s1
InChIKeyMLPAJQKFPIQHGM-ZMFCMNQTSA-N
MW365.48 g/mol
LogP1.71
Rot. Bonds4

About N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide

N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide (PubChem CID 69208256) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
PubChem CID69208256
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
SMILESC[C@](O)(NC(=O)C1(N2CCNCC2)CCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-21(27,18-8-3-2-4-9-18)24-20(26)22(25-15-13-23-14-16-25)12-11-17-7-5-6-10-19(17)22/h2-10,23,27H,11-16H2,1H3,(H,24,26)/t21-,22?/m1/s1
InChIKeyMLPAJQKFPIQHGM-ZMFCMNQTSA-N
XLogP1.71
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 69209514
(1R)-N-methyl-N-[(1S)-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide;dihydrochloride
CID 69210087
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 11949318
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915
1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid
CID 43803284
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54895169
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463415
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
2-(1,4-diazepan-1-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60993813
1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid
CID 139670868
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 54892289

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide (CID 69208256) is N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide is C[C@](O)(NC(=O)C1(N2CCNCC2)CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The InChIKey is MLPAJQKFPIQHGM-ZMFCMNQTSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-21(27,18-8-3-2-4-9-18)24-20(26)22(25-15-13-23-14-16-25)12-11-17-7-5-6-10-19(17)22/h2-10,23,27H,11-16H2,1H3,(H,24,26)/t21-,22?/m1/s1.
What are the key properties of N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 69208256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).