(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide

C18H23N5O2 — CID 95899241

IUPAC(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)15-8-5-9-22(12-15)18(25)21-16-10-20-23(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,24)(H,21,25)/t15-/m1/s1
InChIKeyKLVYXOPVIXFUIG-OAHLLOKOSA-N
MW341.42 g/mol
LogP1.92
Rot. Bonds4

About (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide

(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 95899241) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID95899241
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)15-8-5-9-22(12-15)18(25)21-16-10-20-23(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,24)(H,21,25)/t15-/m1/s1
InChIKeyKLVYXOPVIXFUIG-OAHLLOKOSA-N
XLogP1.92
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 126439599
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide (CID 95899241) is (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide is CNC(=O)[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is KLVYXOPVIXFUIG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17(24)15-8-5-9-22(12-15)18(25)21-16-10-20-23(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,24)(H,21,25)/t15-/m1/s1.
What are the key properties of (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide?
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95899241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).