4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide

C22H23N3O — CID 11667358

IUPAC4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O/c26-22(23-21-8-2-1-3-9-21)25-14-12-24(13-15-25)17-18-10-11-19-6-4-5-7-20(19)16-18/h1-11,16H,12-15,17H2,(H,23,26)
InChIKeyHLDABEWWCKSKRE-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.19
Rot. Bonds3

About 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide

4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 11667358) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide
PubChem CID11667358
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O/c26-22(23-21-8-2-1-3-9-21)25-14-12-24(13-15-25)17-18-10-11-19-6-4-5-7-20(19)16-18/h1-11,16H,12-15,17H2,(H,23,26)
InChIKeyHLDABEWWCKSKRE-UHFFFAOYSA-N
XLogP4.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Cyclohexyl-3-naphthalen-1-ylurea
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CID 24768230
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
1-(1-Naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273631
N-(2-ethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3869589
N-(1-Naphthyl)-4-phenyl-1-piperazinecarboxamide
CID 258849
4-Benzyl-N-(1-naphthyl)-1-piperazinecarboxamide
CID 796895
N-(1-Naphthyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 2901712
1,1-Dibenzyl-3-phenylurea
CID 791722
1,1-Dibenzyl-3-(3,4-xylyl)urea
CID 3687938
4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 732316

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide (CID 11667358) is 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is HLDABEWWCKSKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(23-21-8-2-1-3-9-21)25-14-12-24(13-15-25)17-18-10-11-19-6-4-5-7-20(19)16-18/h1-11,16H,12-15,17H2,(H,23,26).
What are the key properties of 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide?
4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11667358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).