N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide

C27H30N4O3 — CID 143176119

IUPACN-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(CCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)nc1
InChIInChI=1S/C27H30N4O3/c1-21(32)29-24-10-13-26(28-19-24)34-25-11-7-22(8-12-25)9-14-27(33)31-17-15-30(16-18-31)20-23-5-3-2-4-6-23/h2-8,10-13,19H,9,14-18,20H2,1H3,(H,29,32)
InChIKeyQPKVIKYEFPPURL-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.11
Rot. Bonds8

About N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide

N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide (PubChem CID 143176119) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide
PubChem CID143176119
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(CCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)nc1
InChIInChI=1S/C27H30N4O3/c1-21(32)29-24-10-13-26(28-19-24)34-25-11-7-22(8-12-25)9-14-27(33)31-17-15-30(16-18-31)20-23-5-3-2-4-6-23/h2-8,10-13,19H,9,14-18,20H2,1H3,(H,29,32)
InChIKeyQPKVIKYEFPPURL-UHFFFAOYSA-N
XLogP4.11
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-[4-[[5-(dibenzylamino)-2-pyridinyl]oxy]phenyl]propan-1-one
CID 68524311
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[4-[2-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110959732
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
CID 53174914
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[4-[(3-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methyl]phenyl]acetamide
CID 160873477
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide (CID 143176119) is N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(CCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)nc1.
What is the InChIKey of N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide?
The InChIKey is QPKVIKYEFPPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-21(32)29-24-10-13-26(28-19-24)34-25-11-7-22(8-12-25)9-14-27(33)31-17-15-30(16-18-31)20-23-5-3-2-4-6-23/h2-8,10-13,19H,9,14-18,20H2,1H3,(H,29,32).
What are the key properties of N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide?
N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide has a molecular weight of 458.56 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 143176119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).