methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate

C22H29N3O2 — CID 15515472

IUPACmethyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
SMILESCOC(=O)C(C)(CCCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-22(21(26)27-2,19-9-4-3-5-10-19)12-8-14-24-15-17-25(18-16-24)20-11-6-7-13-23-20/h3-7,9-11,13H,8,12,14-18H2,1-2H3
InChIKeyTXRXNSICKKLWOE-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.11
Rot. Bonds7

About methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate

methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate (PubChem CID 15515472) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
PubChem CID15515472
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Namemethyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
SMILESCOC(=O)C(C)(CCCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-22(21(26)27-2,19-9-4-3-5-10-19)12-8-14-24-15-17-25(18-16-24)20-11-6-7-13-23-20/h3-7,9-11,13H,8,12,14-18H2,1-2H3
InChIKeyTXRXNSICKKLWOE-UHFFFAOYSA-N
XLogP3.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate
CID 70150689
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid
CID 154746178
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 62569653
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate?
The IUPAC name of methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate (CID 15515472) is methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate?
The canonical SMILES for methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate is COC(=O)C(C)(CCCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate?
The InChIKey is TXRXNSICKKLWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(21(26)27-2,19-9-4-3-5-10-19)12-8-14-24-15-17-25(18-16-24)20-11-6-7-13-23-20/h3-7,9-11,13H,8,12,14-18H2,1-2H3.
What are the key properties of methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate?
methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate has a molecular weight of 367.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate is sourced from PubChem (CID 15515472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).