(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

C17H28N4O2 — CID 97119210

IUPAC(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCCc2c(C)nn(CC)c2C)CCC1=O
InChIInChI=1S/C17H28N4O2/c1-5-20-11-14(7-8-16(20)22)17(23)18-10-9-15-12(3)19-21(6-2)13(15)4/h14H,5-11H2,1-4H3,(H,18,23)/t14-/m1/s1
InChIKeyVPZJPFXKALBBKP-CQSZACIVSA-N
MW320.44 g/mol
LogP1.44
Rot. Bonds6

About (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97119210) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID97119210
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCCc2c(C)nn(CC)c2C)CCC1=O
InChIInChI=1S/C17H28N4O2/c1-5-20-11-14(7-8-16(20)22)17(23)18-10-9-15-12(3)19-21(6-2)13(15)4/h14H,5-11H2,1-4H3,(H,18,23)/t14-/m1/s1
InChIKeyVPZJPFXKALBBKP-CQSZACIVSA-N
XLogP1.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97123174
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42564642
1-tert-butyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70716589
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 45194061
(3S)-3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97200908
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
CID 97119377
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25308685
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154886109
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97130107
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781682
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45224796

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 97119210) is (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is CCN1C[C@H](C(=O)NCCc2c(C)nn(CC)c2C)CCC1=O.
What is the InChIKey of (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is VPZJPFXKALBBKP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-20-11-14(7-8-16(20)22)17(23)18-10-9-15-12(3)19-21(6-2)13(15)4/h14H,5-11H2,1-4H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).