2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide

C20H26N6O2 — CID 95124915

IUPAC2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1)Nc1ccccc1
InChIInChI=1S/C20H26N6O2/c27-17-7-9-26(14-17)18-6-8-21-20(23-18)25-12-10-24(11-13-25)15-19(28)22-16-4-2-1-3-5-16/h1-6,8,17,27H,7,9-15H2,(H,22,28)/t17-/m0/s1
InChIKeyQSQIAOFIORFZOW-KRWDZBQOSA-N
MW382.47 g/mol
LogP0.81
Rot. Bonds5

About 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide

2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 95124915) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide
PubChem CID95124915
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1)Nc1ccccc1
InChIInChI=1S/C20H26N6O2/c27-17-7-9-26(14-17)18-6-8-21-20(23-18)25-12-10-24(11-13-25)15-19(28)22-16-4-2-1-3-5-16/h1-6,8,17,27H,7,9-15H2,(H,22,28)/t17-/m0/s1
InChIKeyQSQIAOFIORFZOW-KRWDZBQOSA-N
XLogP0.81
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
N-phenyl-2-[4-(1-pyrazin-2-ylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 43062241
1'-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96579260
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide (CID 95124915) is 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is QSQIAOFIORFZOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-17-7-9-26(14-17)18-6-8-21-20(23-18)25-12-10-24(11-13-25)15-19(28)22-16-4-2-1-3-5-16/h1-6,8,17,27H,7,9-15H2,(H,22,28)/t17-/m0/s1.
What are the key properties of 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 382.47 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 95124915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).