2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide

C18H23N3O — CID 95582678

IUPAC2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
SMILESC[C@@H](c1cccc2ccccc12)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C18H23N3O/c1-14(21-11-9-20(10-12-21)13-18(19)22)16-8-4-6-15-5-2-3-7-17(15)16/h2-8,14H,9-13H2,1H3,(H2,19,22)/t14-/m0/s1
InChIKeyUBHSXAUXUCVPQN-AWEZNQCLSA-N
MW297.40 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide

2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide (PubChem CID 95582678) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
PubChem CID95582678
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
SMILESC[C@@H](c1cccc2ccccc12)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C18H23N3O/c1-14(21-11-9-20(10-12-21)13-18(19)22)16-8-4-6-15-5-2-3-7-17(15)16/h2-8,14H,9-13H2,1H3,(H2,19,22)/t14-/m0/s1
InChIKeyUBHSXAUXUCVPQN-AWEZNQCLSA-N
XLogP2.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
1-[(1R)-1-naphthalen-1-ylethyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 90670154
1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 82958965
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide
CID 101060850
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
N-(2-methoxyethyl)-2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24507241
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30625656

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide (CID 95582678) is 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide is C[C@@H](c1cccc2ccccc12)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide?
The InChIKey is UBHSXAUXUCVPQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(21-11-9-20(10-12-21)13-18(19)22)16-8-4-6-15-5-2-3-7-17(15)16/h2-8,14H,9-13H2,1H3,(H2,19,22)/t14-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide?
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95582678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).