N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide

C24H25N3O2 — CID 27671411

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25N3O2/c28-23(27-14-12-26(13-15-27)18-19-6-2-1-3-7-19)17-25-24(29)22-11-10-20-8-4-5-9-21(20)16-22/h1-11,16H,12-15,17-18H2,(H,25,29)
InChIKeyWQQPDNVKUPVEJA-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 27671411) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID27671411
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25N3O2/c28-23(27-14-12-26(13-15-27)18-19-6-2-1-3-7-19)17-25-24(29)22-11-10-20-8-4-5-9-21(20)16-22/h1-11,16H,12-15,17-18H2,(H,25,29)
InChIKeyWQQPDNVKUPVEJA-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide
CID 75369026
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9041718
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55395088

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide (CID 27671411) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide is O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is WQQPDNVKUPVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(27-14-12-26(13-15-27)18-19-6-2-1-3-7-19)17-25-24(29)22-11-10-20-8-4-5-9-21(20)16-22/h1-11,16H,12-15,17-18H2,(H,25,29).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.91, 5 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]naphthalene-2-carboxamide is sourced from PubChem (CID 27671411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).