N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide

C25H32N4O3 — CID 33104690

IUPACN-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)CN3CCC(NC(=O)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-32-23-9-7-22(8-10-23)28-15-17-29(18-16-28)24(30)19-27-13-11-21(12-14-27)26-25(31)20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3,(H,26,31)
InChIKeySWNNNOLBURMLDJ-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.24
Rot. Bonds6

About N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 33104690) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID33104690
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)CN3CCC(NC(=O)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-32-23-9-7-22(8-10-23)28-15-17-29(18-16-28)24(30)19-27-13-11-21(12-14-27)26-25(31)20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3,(H,26,31)
InChIKeySWNNNOLBURMLDJ-UHFFFAOYSA-N
XLogP2.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-[4-(2-methylcyclobutyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 143404085
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate
CID 54229944
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide (CID 33104690) is N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide is COc1ccc(N2CCN(C(=O)CN3CCC(NC(=O)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is SWNNNOLBURMLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-32-23-9-7-22(8-10-23)28-15-17-29(18-16-28)24(30)19-27-13-11-21(12-14-27)26-25(31)20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3,(H,26,31).
What are the key properties of N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33104690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).