2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide

C24H26N4O2 — CID 18125482

IUPAC2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H26N4O2/c29-23(16-21-6-3-5-20-4-1-2-7-22(20)21)26-17-24(30)28-14-12-27(13-15-28)18-19-8-10-25-11-9-19/h1-11H,12-18H2,(H,26,29)
InChIKeyAAPFGQKQRFJKOR-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.24
Rot. Bonds6

About 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide

2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 18125482) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID18125482
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H26N4O2/c29-23(16-21-6-3-5-20-4-1-2-7-22(20)21)26-17-24(30)28-14-12-27(13-15-28)18-19-8-10-25-11-9-19/h1-11H,12-18H2,(H,26,29)
InChIKeyAAPFGQKQRFJKOR-UHFFFAOYSA-N
XLogP2.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 112801401
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
2-naphthalen-1-yl-N-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 16606338
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55495315
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55395088
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964463
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119519046

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide (CID 18125482) is 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide is O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is AAPFGQKQRFJKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(16-21-6-3-5-20-4-1-2-7-22(20)21)26-17-24(30)28-14-12-27(13-15-28)18-19-8-10-25-11-9-19/h1-11H,12-18H2,(H,26,29).
What are the key properties of 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 18125482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).