2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide

C22H25N3O2 — CID 72938535

IUPAC2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2cccc3c2CCCC3)C1Cc1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21-20(15-16-7-2-1-3-8-16)25(14-13-23-21)22(27)24-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12,20H,4-5,9,11,13-15H2,(H,23,26)(H,24,27)
InChIKeySYIPXMZDMHWLAI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.14
Rot. Bonds3

About 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide

2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide (PubChem CID 72938535) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
PubChem CID72938535
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2cccc3c2CCCC3)C1Cc1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21-20(15-16-7-2-1-3-8-16)25(14-13-23-21)22(27)24-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12,20H,4-5,9,11,13-15H2,(H,23,26)(H,24,27)
InChIKeySYIPXMZDMHWLAI-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97444169
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 118772653
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 72933841
(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 97455455
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 74240827
4-[(2-benzyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122021973
(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496
3-benzyl-4-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)-1,4-diazepan-2-one
CID 138004597
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The IUPAC name of 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide (CID 72938535) is 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The canonical SMILES for 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide is O=C1NCCN(C(=O)Nc2cccc3c2CCCC3)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The InChIKey is SYIPXMZDMHWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-20(15-16-7-2-1-3-8-16)25(14-13-23-21)22(27)24-19-12-6-10-17-9-4-5-11-18(17)19/h1-3,6-8,10,12,20H,4-5,9,11,13-15H2,(H,23,26)(H,24,27).
What are the key properties of 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72938535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).