methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate

C26H34N4O3 — CID 54229944

IUPACmethyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(NC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H34N4O3/c1-33-25(31)20-28-13-11-23(12-14-28)27-26(32)22-7-9-24(10-8-22)30-17-15-29(16-18-30)19-21-5-3-2-4-6-21/h2-10,23H,11-20H2,1H3,(H,27,32)
InChIKeyQINWKUPKGYFNRX-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.38
Rot. Bonds7

About methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate

methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate (PubChem CID 54229944) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate
PubChem CID54229944
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Namemethyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(NC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H34N4O3/c1-33-25(31)20-28-13-11-23(12-14-28)27-26(32)22-7-9-24(10-8-22)30-17-15-29(16-18-30)19-21-5-3-2-4-6-21/h2-10,23H,11-20H2,1H3,(H,27,32)
InChIKeyQINWKUPKGYFNRX-UHFFFAOYSA-N
XLogP2.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
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N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33104690
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-4-[[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazin-1-yl]methyl]benzamide
CID 143819252
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate (CID 54229944) is methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate is COC(=O)CN1CCC(NC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate?
The InChIKey is QINWKUPKGYFNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-33-25(31)20-28-13-11-23(12-14-28)27-26(32)22-7-9-24(10-8-22)30-17-15-29(16-18-30)19-21-5-3-2-4-6-21/h2-10,23H,11-20H2,1H3,(H,27,32).
What are the key properties of methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate?
methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate has a molecular weight of 450.58 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate is sourced from PubChem (CID 54229944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).