N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide

C22H29N3O2 — CID 42166391

IUPACN-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
SMILESCC(=O)NC[C@H](C)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(16-23-19(2)26)27-22-10-8-20(9-11-22)17-24-12-14-25(15-13-24)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyZYKJPQUKJHXEFQ-SFHVURJKSA-N
MW367.49 g/mol
LogP2.91
Rot. Bonds7

About N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide

N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide (PubChem CID 42166391) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
PubChem CID42166391
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
SMILESCC(=O)NC[C@H](C)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(16-23-19(2)26)27-22-10-8-20(9-11-22)17-24-12-14-25(15-13-24)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyZYKJPQUKJHXEFQ-SFHVURJKSA-N
XLogP2.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propan-1-amine
CID 125161827
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]-4-(trifluoromethyl)benzamide
CID 42168373
2-(benzimidazol-1-yl)-N-[2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 45198692
2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42277625
methyl 4-[[4-(2-phenoxypropyl)piperazin-1-yl]methyl]benzoate
CID 54506508
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide
CID 174432133

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The IUPAC name of N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide (CID 42166391) is N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide.
What is the SMILES notation for N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The canonical SMILES for N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide is CC(=O)NC[C@H](C)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The InChIKey is ZYKJPQUKJHXEFQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(16-23-19(2)26)27-22-10-8-20(9-11-22)17-24-12-14-25(15-13-24)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide is sourced from PubChem (CID 42166391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).