(5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one

C20H29N5O — CID 155130038

IUPAC(5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one
SMILESCNCCN(C)Cc1cn[nH]c1[C@@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H29N5O/c1-21-10-11-24(2)14-18-12-22-23-20(18)17-8-9-19(26)25(15-17)13-16-6-4-3-5-7-16/h3-7,12,17,21H,8-11,13-15H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyMHTZYFGYSZADJO-QGZVFWFLSA-N
MW355.49 g/mol
LogP1.97
Rot. Bonds8

About (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one

(5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one (PubChem CID 155130038) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one
PubChem CID155130038
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one
SMILESCNCCN(C)Cc1cn[nH]c1[C@@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H29N5O/c1-21-10-11-24(2)14-18-12-22-23-20(18)17-8-9-19(26)25(15-17)13-16-6-4-3-5-7-16/h3-7,12,17,21H,8-11,13-15H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyMHTZYFGYSZADJO-QGZVFWFLSA-N
XLogP1.97
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one?
The IUPAC name of (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one (CID 155130038) is (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one.
What is the SMILES notation for (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one?
The canonical SMILES for (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one is CNCCN(C)Cc1cn[nH]c1[C@@H]1CCC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one?
The InChIKey is MHTZYFGYSZADJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O/c1-21-10-11-24(2)14-18-12-22-23-20(18)17-8-9-19(26)25(15-17)13-16-6-4-3-5-7-16/h3-7,12,17,21H,8-11,13-15H2,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one?
(5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one has a molecular weight of 355.49 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one is sourced from PubChem (CID 155130038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).