N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide

C16H25N3O2 — CID 110007949

IUPACN-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-17-16(21)12-19-9-7-18(8-10-19)11-14-3-5-15(13-20)6-4-14/h3-6,20H,2,7-13H2,1H3,(H,17,21)
InChIKeyNRJMCSLRUWOYII-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.43
Rot. Bonds6

About N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide (PubChem CID 110007949) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
PubChem CID110007949
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-17-16(21)12-19-9-7-18(8-10-19)11-14-3-5-15(13-20)6-4-14/h3-6,20H,2,7-13H2,1H3,(H,17,21)
InChIKeyNRJMCSLRUWOYII-UHFFFAOYSA-N
XLogP0.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8616835
2-[4-[[4-(hydroxymethyl)phenyl]methyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110008124
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane
CID 162526511
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8861904
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130785
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide (CID 110007949) is N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(Cc2ccc(CO)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is NRJMCSLRUWOYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-17-16(21)12-19-9-7-18(8-10-19)11-14-3-5-15(13-20)6-4-14/h3-6,20H,2,7-13H2,1H3,(H,17,21).
What are the key properties of N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 110007949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).