(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide

C22H27N3O — CID 70975232

IUPAC(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C22H27N3O/c26-22(24-20-12-6-10-18-9-4-5-11-19(18)20)21-16-25(14-13-23-21)15-17-7-2-1-3-8-17/h1-5,7-9,11,20-21,23H,6,10,12-16H2,(H,24,26)/t20?,21-/m0/s1
InChIKeyTZZXFCOMNNEZGS-LBAQZLPGSA-N
MW349.48 g/mol
LogP2.65
Rot. Bonds4

About (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide

(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide (PubChem CID 70975232) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
PubChem CID70975232
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C22H27N3O/c26-22(24-20-12-6-10-18-9-4-5-11-19(18)20)21-16-25(14-13-23-21)15-17-7-2-1-3-8-17/h1-5,7-9,11,20-21,23H,6,10,12-16H2,(H,24,26)/t20?,21-/m0/s1
InChIKeyTZZXFCOMNNEZGS-LBAQZLPGSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 143311626
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 69233352
(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen
CID 143311625
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 141153564
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
1-[(3-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024023
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide (CID 70975232) is (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide is O=C(NC1CCCc2ccccc21)[C@@H]1CN(Cc2ccccc2)CCN1.
What is the InChIKey of (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
The InChIKey is TZZXFCOMNNEZGS-LBAQZLPGSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(24-20-12-6-10-18-9-4-5-11-19(18)20)21-16-25(14-13-23-21)15-17-7-2-1-3-8-17/h1-5,7-9,11,20-21,23H,6,10,12-16H2,(H,24,26)/t20?,21-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide?
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide is sourced from PubChem (CID 70975232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).