(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide

C24H27N5O2 — CID 8962325

IUPAC(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H27N5O2/c1-27(16-19-15-25-29(17-19)22-12-6-3-7-13-22)23(30)20-9-8-14-28(18-20)24(31)26-21-10-4-2-5-11-21/h2-7,10-13,15,17,20H,8-9,14,16,18H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyMNBOUDCGZVFRIE-HXUWFJFHSA-N
MW417.51 g/mol
LogP3.77
Rot. Bonds5

About (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide

(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 8962325) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID8962325
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H27N5O2/c1-27(16-19-15-25-29(17-19)22-12-6-3-7-13-22)23(30)20-9-8-14-28(18-20)24(31)26-21-10-4-2-5-11-21/h2-7,10-13,15,17,20H,8-9,14,16,18H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyMNBOUDCGZVFRIE-HXUWFJFHSA-N
XLogP3.77
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 17447922
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97206029
(3R)-3-N-methyl-3-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 136701479
(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9084986
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide (CID 8962325) is (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is MNBOUDCGZVFRIE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-27(16-19-15-25-29(17-19)22-12-6-3-7-13-22)23(30)20-9-8-14-28(18-20)24(31)26-21-10-4-2-5-11-21/h2-7,10-13,15,17,20H,8-9,14,16,18H2,1H3,(H,26,31)/t20-/m1/s1.
What are the key properties of (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 8962325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).