1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid

C19H27N3O3 — CID 119349525

IUPAC1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
SMILESCN1CCN(C(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-20-11-13-21(14-12-20)17(15-5-3-2-4-6-15)18(23)22-9-7-16(8-10-22)19(24)25/h2-6,16-17H,7-14H2,1H3,(H,24,25)
InChIKeyGJZOFJBSYBMCNK-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.30
Rot. Bonds4

About 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid

1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid (PubChem CID 119349525) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
PubChem CID119349525
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
SMILESCN1CCN(C(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-20-11-13-21(14-12-20)17(15-5-3-2-4-6-15)18(23)22-9-7-16(8-10-22)19(24)25/h2-6,16-17H,7-14H2,1H3,(H,24,25)
InChIKeyGJZOFJBSYBMCNK-UHFFFAOYSA-N
XLogP1.30
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate
CID 71845794
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119486223
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid (CID 119349525) is 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid is CN1CCN(C(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid?
The InChIKey is GJZOFJBSYBMCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-20-11-13-21(14-12-20)17(15-5-3-2-4-6-15)18(23)22-9-7-16(8-10-22)19(24)25/h2-6,16-17H,7-14H2,1H3,(H,24,25).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid?
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).