N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide

C22H29N3O2 — CID 139880353

IUPACN-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(26)23-17-19-7-9-20(10-8-19)22(27)11-12-24-13-15-25(16-14-24)21-5-3-2-4-6-21/h2-10,22,27H,11-17H2,1H3,(H,23,26)
InChIKeyOSBMMTAWKABGHU-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.57
Rot. Bonds7

About N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide

N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide (PubChem CID 139880353) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide
PubChem CID139880353
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(26)23-17-19-7-9-20(10-8-19)22(27)11-12-24-13-15-25(16-14-24)21-5-3-2-4-6-21/h2-10,22,27H,11-17H2,1H3,(H,23,26)
InChIKeyOSBMMTAWKABGHU-UHFFFAOYSA-N
XLogP2.57
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide;dihydrate;dihydrochloride
CID 139880397
N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide
CID 139880412
1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 82071149
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
6-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 13064851
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42166391
ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide
CID 21153353
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide (CID 139880353) is N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide?
The InChIKey is OSBMMTAWKABGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(26)23-17-19-7-9-20(10-8-19)22(27)11-12-24-13-15-25(16-14-24)21-5-3-2-4-6-21/h2-10,22,27H,11-17H2,1H3,(H,23,26).
What are the key properties of N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide?
N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide is sourced from PubChem (CID 139880353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).