N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide

C18H27N3O3 — CID 95342576

IUPACN-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccc(CNC(C)=O)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-17(23)13-20-8-10-21(11-9-20)18(24)16-6-4-15(5-7-16)12-19-14(2)22/h4-7,17,23H,3,8-13H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyFDKZEAVFWCPBER-KRWDZBQOSA-N
MW333.43 g/mol
LogP0.85
Rot. Bonds6

About N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide

N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide (PubChem CID 95342576) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
PubChem CID95342576
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccc(CNC(C)=O)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-17(23)13-20-8-10-21(11-9-20)18(24)16-6-4-15(5-7-16)12-19-14(2)22/h4-7,17,23H,3,8-13H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyFDKZEAVFWCPBER-KRWDZBQOSA-N
XLogP0.85
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 95613180
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 86890910
N-[[4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 79404212
N-[[4-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]acetamide
CID 78850069
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95346804
N-[[4-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95759214
N-[[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 18138954
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
1-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 46596157
N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 95613274

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide (CID 95342576) is N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide is CC[C@H](O)CN1CCN(C(=O)c2ccc(CNC(C)=O)cc2)CC1.
What is the InChIKey of N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
The InChIKey is FDKZEAVFWCPBER-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-17(23)13-20-8-10-21(11-9-20)18(24)16-6-4-15(5-7-16)12-19-14(2)22/h4-7,17,23H,3,8-13H2,1-2H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 95342576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).