N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide

C26H29N3O2 — CID 75369026

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2c1)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O2/c30-25(13-11-21-10-12-23-8-4-5-9-24(23)18-21)27-19-26(31)29-16-14-28(15-17-29)20-22-6-2-1-3-7-22/h1-10,12,18H,11,13-17,19-20H2,(H,27,30)
InChIKeyKBFKQQPTOQNPCC-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide (PubChem CID 75369026) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide
PubChem CID75369026
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2c1)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O2/c30-25(13-11-21-10-12-23-8-4-5-9-24(23)18-21)27-19-26(31)29-16-14-28(15-17-29)20-22-6-2-1-3-7-22/h1-10,12,18H,11,13-17,19-20H2,(H,27,30)
InChIKeyKBFKQQPTOQNPCC-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 27755996
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide (CID 75369026) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide is O=C(CCc1ccc2ccccc2c1)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide?
The InChIKey is KBFKQQPTOQNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-25(13-11-21-10-12-23-8-4-5-9-24(23)18-21)27-19-26(31)29-16-14-28(15-17-29)20-22-6-2-1-3-7-22/h1-10,12,18H,11,13-17,19-20H2,(H,27,30).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 75369026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).