1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide

C25H35N5O2 — CID 86957597

IUPAC1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CCC(=O)N(C)C3c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C25H35N5O2/c1-18-4-6-20(7-5-18)16-30-12-10-19(11-13-30)14-26-25(32)22-8-9-23(31)29(3)24(22)21-15-27-28(2)17-21/h4-7,15,17,19,22,24H,8-14,16H2,1-3H3,(H,26,32)
InChIKeySUGJCANKLLIPDD-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.67
Rot. Bonds6

About 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide

1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 86957597) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID86957597
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CCC(=O)N(C)C3c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C25H35N5O2/c1-18-4-6-20(7-5-18)16-30-12-10-19(11-13-30)14-26-25(32)22-8-9-23(31)29(3)24(22)21-15-27-28(2)17-21/h4-7,15,17,19,22,24H,8-14,16H2,1-3H3,(H,26,32)
InChIKeySUGJCANKLLIPDD-UHFFFAOYSA-N
XLogP2.67
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide (CID 86957597) is 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide is Cc1ccc(CN2CCC(CNC(=O)C3CCC(=O)N(C)C3c3cnn(C)c3)CC2)cc1.
What is the InChIKey of 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is SUGJCANKLLIPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-18-4-6-20(7-5-18)16-30-12-10-19(11-13-30)14-26-25(32)22-8-9-23(31)29(3)24(22)21-15-27-28(2)17-21/h4-7,15,17,19,22,24H,8-14,16H2,1-3H3,(H,26,32).
What are the key properties of 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide?
1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 86957597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).