2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide

C20H31N3O2 — CID 95312893

IUPAC2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESC[C@@H](O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-17(24)14-22-10-12-23(13-11-22)15-19(25)21-16-20(8-5-9-20)18-6-3-2-4-7-18/h2-4,6-7,17,24H,5,8-16H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyBPNQSRIYTGTXEA-QGZVFWFLSA-N
MW345.49 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide

2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 95312893) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID95312893
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESC[C@@H](O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-17(24)14-22-10-12-23(13-11-22)15-19(25)21-16-20(8-5-9-20)18-6-3-2-4-7-18/h2-4,6-7,17,24H,5,8-16H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyBPNQSRIYTGTXEA-QGZVFWFLSA-N
XLogP1.22
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 37461814
2-(3-hydroxypiperidin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 134038296
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 71932300
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 120773560
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55827578
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34049003

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 95312893) is 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide is C[C@@H](O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is BPNQSRIYTGTXEA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-17(24)14-22-10-12-23(13-11-22)15-19(25)21-16-20(8-5-9-20)18-6-3-2-4-7-18/h2-4,6-7,17,24H,5,8-16H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 95312893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).