N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide

C18H23N5O2 — CID 32526900

IUPACN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)13-22-9-7-15(8-10-22)21-18(25)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,19,24)(H,21,25)
InChIKeyBSPRPLDFYHPGEG-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.81
Rot. Bonds5

About N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 32526900) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID32526900
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)13-22-9-7-15(8-10-22)21-18(25)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,19,24)(H,21,25)
InChIKeyBSPRPLDFYHPGEG-UHFFFAOYSA-N
XLogP0.81
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51078940
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 24611620
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 55880187
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 115497212
N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
CID 80661828
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 16613492
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
CID 18131571

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide (CID 32526900) is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide is CNC(=O)CN1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is BSPRPLDFYHPGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17(24)13-22-9-7-15(8-10-22)21-18(25)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,19,24)(H,21,25).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide?
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 32526900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).