1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea

C23H27N3O3 — CID 52860461

IUPAC1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea
SMILESC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C23H27N3O3/c1-15-6-4-5-13-26(15)22(28)16-9-11-18(12-10-16)24-23(29)25-21-19-8-3-2-7-17(19)14-20(21)27/h2-3,7-12,15,20-21,27H,4-6,13-14H2,1H3,(H2,24,25,29)/t15-,20-,21+/m0/s1
InChIKeySOXWPIUOWHRXNN-ONGXBYRLSA-N
MW393.49 g/mol
LogP3.48
Rot. Bonds3

About 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea (PubChem CID 52860461) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea
PubChem CID52860461
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea
SMILESC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C23H27N3O3/c1-15-6-4-5-13-26(15)22(28)16-9-11-18(12-10-16)24-23(29)25-21-19-8-3-2-7-17(19)14-20(21)27/h2-3,7-12,15,20-21,27H,4-6,13-14H2,1H3,(H2,24,25,29)/t15-,20-,21+/m0/s1
InChIKeySOXWPIUOWHRXNN-ONGXBYRLSA-N
XLogP3.48
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea with MolForge

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea
CID 56684475
1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea
CID 95312775
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea
CID 99708845
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea (CID 52860461) is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea is C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1.
What is the InChIKey of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea?
The InChIKey is SOXWPIUOWHRXNN-ONGXBYRLSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-6-4-5-13-26(15)22(28)16-9-11-18(12-10-16)24-23(29)25-21-19-8-3-2-7-17(19)14-20(21)27/h2-3,7-12,15,20-21,27H,4-6,13-14H2,1H3,(H2,24,25,29)/t15-,20-,21+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea?
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea has a molecular weight of 393.49 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 52860461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).