1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea

C22H27N3O — CID 95724999

IUPAC1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H27N3O/c1-24(22(26)23-19-10-3-2-4-11-19)20-12-7-13-25(16-20)21-14-17-8-5-6-9-18(17)15-21/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyWTZDICKUHKHBDV-HXUWFJFHSA-N
MW349.48 g/mol
LogP3.78
Rot. Bonds3

About 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea

1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea (PubChem CID 95724999) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
PubChem CID95724999
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H27N3O/c1-24(22(26)23-19-10-3-2-4-11-19)20-12-7-13-25(16-20)21-14-17-8-5-6-9-18(17)15-21/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyWTZDICKUHKHBDV-HXUWFJFHSA-N
XLogP3.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
CID 95715305
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
CID 26326531
N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide
CID 95874159
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-ethenyl-N-methylbenzamide
CID 42214630
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 42344868
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 25310154
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 45197169
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
CID 162665269
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 42594380
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790
(E)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 25385169
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide
CID 42509695

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea?
The IUPAC name of 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea (CID 95724999) is 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea is CN(C(=O)Nc1ccccc1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea?
The InChIKey is WTZDICKUHKHBDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(22(26)23-19-10-3-2-4-11-19)20-12-7-13-25(16-20)21-14-17-8-5-6-9-18(17)15-21/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,23,26)/t20-/m1/s1.
What are the key properties of 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea?
1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea has a molecular weight of 349.48 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea is sourced from PubChem (CID 95724999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).