2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid

C21H24N2O2 — CID 67242056

IUPAC2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid
SMILESO=C(O)N(c1ccc(C2CCCNC2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C21H24N2O2/c24-21(25)23(20-12-16-4-1-2-5-17(16)13-20)19-9-7-15(8-10-19)18-6-3-11-22-14-18/h1-2,4-5,7-10,18,20,22H,3,6,11-14H2,(H,24,25)
InChIKeyKADUIOQSNQROER-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid

2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid (PubChem CID 67242056) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid
PubChem CID67242056
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid
SMILESO=C(O)N(c1ccc(C2CCCNC2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C21H24N2O2/c24-21(25)23(20-12-16-4-1-2-5-17(16)13-20)19-9-7-15(8-10-19)18-6-3-11-22-14-18/h1-2,4-5,7-10,18,20,22H,3,6,11-14H2,(H,24,25)
InChIKeyKADUIOQSNQROER-UHFFFAOYSA-N
XLogP3.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid
CID 66853257
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
1-methyl-1-phenyl-3-[4-[(3S)-pyrrolidin-3-yl]phenyl]urea
CID 124566450
tert-butyl N-(azepan-3-yl)-N-phenylcarbamate
CID 141141954
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid (CID 67242056) is 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid is O=C(O)N(c1ccc(C2CCCNC2)cc1)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid?
The InChIKey is KADUIOQSNQROER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(25)23(20-12-16-4-1-2-5-17(16)13-20)19-9-7-15(8-10-19)18-6-3-11-22-14-18/h1-2,4-5,7-10,18,20,22H,3,6,11-14H2,(H,24,25).
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid?
2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid has a molecular weight of 336.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid is sourced from PubChem (CID 67242056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).