(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide

C12H18N4O2 — CID 97311350

IUPAC(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)cn1
InChIInChI=1S/C12H18N4O2/c1-3-16-8-10(7-13-16)14-12(18)9-4-5-15(2)11(17)6-9/h7-9H,3-6H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyDLQRGRSIYZOTHA-VIFPVBQESA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds3

About (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide

(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 97311350) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID97311350
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)cn1
InChIInChI=1S/C12H18N4O2/c1-3-16-8-10(7-13-16)14-12(18)9-4-5-15(2)11(17)6-9/h7-9H,3-6H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyDLQRGRSIYZOTHA-VIFPVBQESA-N
XLogP0.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
CID 51114235
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
N-[1-(ethoxymethyl)-1H-pyrazol-4-yl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582140
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 51098378
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
N-methyl-1-(3-pyrazol-1-ylpropanoyl)piperidine-4-carboxamide
CID 53526482

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide (CID 97311350) is (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide is CCn1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)cn1.
What is the InChIKey of (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is DLQRGRSIYZOTHA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-16-8-10(7-13-16)14-12(18)9-4-5-15(2)11(17)6-9/h7-9H,3-6H2,1-2H3,(H,14,18)/t9-/m0/s1.
What are the key properties of (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide?
(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 97311350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).