2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

C20H31N3O2 — CID 111445977

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC1(O)CCCCC1
InChIInChI=1S/C20H31N3O2/c24-19(21-17-20(25)9-5-2-6-10-20)16-23-13-11-22(12-14-23)15-18-7-3-1-4-8-18/h1,3-4,7-8,25H,2,5-6,9-17H2,(H,21,24)
InChIKeyYPGIOBUMMGBMSR-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.62
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111445977) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID111445977
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC1(O)CCCCC1
InChIInChI=1S/C20H31N3O2/c24-19(21-17-20(25)9-5-2-6-10-20)16-23-13-11-22(12-14-23)15-18-7-3-1-4-8-18/h1,3-4,7-8,25H,2,5-6,9-17H2,(H,21,24)
InChIKeyYPGIOBUMMGBMSR-UHFFFAOYSA-N
XLogP1.62
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 177375552
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902332
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 18430919
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide
CID 177375549
N-[(1-hydroxycyclopentyl)methyl]-2-morpholin-4-ylacetamide
CID 110011664
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 111445977) is 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCC1(O)CCCCC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is YPGIOBUMMGBMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-19(21-17-20(25)9-5-2-6-10-20)16-23-13-11-22(12-14-23)15-18-7-3-1-4-8-18/h1,3-4,7-8,25H,2,5-6,9-17H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111445977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).