N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide

C36H35N3O — CID 142778693

IUPACN-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1(N2CCN(Cc3cccc4ccccc34)CC2)Cc2ccccc2C1
InChIInChI=1S/C36H35N3O/c40-35(37-25-31-15-7-13-27-9-3-5-17-33(27)31)36(23-29-11-1-2-12-30(29)24-36)39-21-19-38(20-22-39)26-32-16-8-14-28-10-4-6-18-34(28)32/h1-18H,19-26H2,(H,37,40)
InChIKeyQLGFMFMEMNJCSY-UHFFFAOYSA-N
MW525.70 g/mol
LogP5.96
Rot. Bonds6

About N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide

N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide (PubChem CID 142778693) has the molecular formula C36H35N3O and a molecular weight of 525.70 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide
PubChem CID142778693
Molecular FormulaC36H35N3O
Molecular Weight525.70 g/mol
Exact Mass525.28
IUPAC NameN-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1(N2CCN(Cc3cccc4ccccc34)CC2)Cc2ccccc2C1
InChIInChI=1S/C36H35N3O/c40-35(37-25-31-15-7-13-27-9-3-5-17-33(27)31)36(23-29-11-1-2-12-30(29)24-36)39-21-19-38(20-22-39)26-32-16-8-14-28-10-4-6-18-34(28)32/h1-18H,19-26H2,(H,37,40)
InChIKeyQLGFMFMEMNJCSY-UHFFFAOYSA-N
XLogP5.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide with MolForge

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778710
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207371
N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 141108971
N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
CID 119050357
N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147747
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679
2,2-dimethyl-N-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 37216695
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide (CID 142778693) is N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide is O=C(NCc1cccc2ccccc12)C1(N2CCN(Cc3cccc4ccccc34)CC2)Cc2ccccc2C1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is QLGFMFMEMNJCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O/c40-35(37-25-31-15-7-13-27-9-3-5-17-33(27)31)36(23-29-11-1-2-12-30(29)24-36)39-21-19-38(20-22-39)26-32-16-8-14-28-10-4-6-18-34(28)32/h1-18H,19-26H2,(H,37,40).
What are the key properties of N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide?
N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 525.70 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 142778693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).