1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide

C20H27N5O2 — CID 70719081

IUPAC1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C20H27N5O2/c1-14(17-12-18(23-22-17)15-6-4-3-5-7-15)24(2)20(27)16-8-10-25(11-9-16)13-19(21)26/h3-7,12,14,16H,8-11,13H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyPBNNCHYKQNFGCF-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.79
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 70719081) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID70719081
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C20H27N5O2/c1-14(17-12-18(23-22-17)15-6-4-3-5-7-15)24(2)20(27)16-8-10-25(11-9-16)13-19(21)26/h3-7,12,14,16H,8-11,13H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyPBNNCHYKQNFGCF-UHFFFAOYSA-N
XLogP1.79
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide (CID 70719081) is 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide is CC(c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)C1CCN(CC(N)=O)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is PBNNCHYKQNFGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(17-12-18(23-22-17)15-6-4-3-5-7-15)24(2)20(27)16-8-10-25(11-9-16)13-19(21)26/h3-7,12,14,16H,8-11,13H2,1-2H3,(H2,21,26)(H,22,23).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70719081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).