N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

C22H29N3O2 — CID 95710109

IUPACN-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCCCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O2/c1-3-4-12-24(2)21(26)15-20-22(27)23-11-13-25(20)16-17-9-10-18-7-5-6-8-19(18)14-17/h5-10,14,20H,3-4,11-13,15-16H2,1-2H3,(H,23,27)/t20-/m1/s1
InChIKeyYDFXXEREZDBRBP-HXUWFJFHSA-N
MW367.49 g/mol
LogP2.79
Rot. Bonds7

About N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 95710109) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID95710109
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCCCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O2/c1-3-4-12-24(2)21(26)15-20-22(27)23-11-13-25(20)16-17-9-10-18-7-5-6-8-19(18)14-17/h5-10,14,20H,3-4,11-13,15-16H2,1-2H3,(H,23,27)/t20-/m1/s1
InChIKeyYDFXXEREZDBRBP-HXUWFJFHSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
N-methyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 45191747
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725128
N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630
N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
CID 56884358
N-butyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45233537
N-butyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95723294
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 95710109) is N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is CCCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1.
What is the InChIKey of N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is YDFXXEREZDBRBP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-4-12-24(2)21(26)15-20-22(27)23-11-13-25(20)16-17-9-10-18-7-5-6-8-19(18)14-17/h5-10,14,20H,3-4,11-13,15-16H2,1-2H3,(H,23,27)/t20-/m1/s1.
What are the key properties of N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95710109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).