(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide

C21H25N3O2 — CID 9027643

IUPAC(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19-10-8-18(9-11-19)23-12-14-24(15-13-23)20(16-4-2-1-3-5-16)21(26)22-17-6-7-17/h1-5,8-11,17,20,25H,6-7,12-15H2,(H,22,26)/t20-/m0/s1
InChIKeyONKIGWPUXBYQMD-FQEVSTJZSA-N
MW351.45 g/mol
LogP2.53
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 9027643) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID9027643
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19-10-8-18(9-11-19)23-12-14-24(15-13-23)20(16-4-2-1-3-5-16)21(26)22-17-6-7-17/h1-5,8-11,17,20,25H,6-7,12-15H2,(H,22,26)/t20-/m0/s1
InChIKeyONKIGWPUXBYQMD-FQEVSTJZSA-N
XLogP2.53
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 9029338
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671
(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 9027647
N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide
CID 18125145
(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
CID 30959081
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
(2S)-N-cyclopropyl-2-phenyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95298740
(2R)-N-cyclopropyl-2-phenyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 98755732
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide (CID 9027643) is (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide is O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is ONKIGWPUXBYQMD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-19-10-8-18(9-11-19)23-12-14-24(15-13-23)20(16-4-2-1-3-5-16)21(26)22-17-6-7-17/h1-5,8-11,17,20,25H,6-7,12-15H2,(H,22,26)/t20-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 351.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 9027643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).