N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

C22H27N3O — CID 17249562

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C22H27N3O/c1-17-5-7-18(8-6-17)16-24-11-13-25(14-12-24)22(26)23-21-10-9-19-3-2-4-20(19)15-21/h5-10,15H,2-4,11-14,16H2,1H3,(H,23,26)
InChIKeyDNWPBRQVWFMMSM-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.83
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 17249562) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID17249562
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C22H27N3O/c1-17-5-7-18(8-6-17)16-24-11-13-25(14-12-24)22(26)23-21-10-9-19-3-2-4-20(19)15-21/h5-10,15H,2-4,11-14,16H2,1H3,(H,23,26)
InChIKeyDNWPBRQVWFMMSM-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 17249562) is N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DNWPBRQVWFMMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-5-7-18(8-6-17)16-24-11-13-25(14-12-24)22(26)23-21-10-9-19-3-2-4-20(19)15-21/h5-10,15H,2-4,11-14,16H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17249562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).