1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one

C21H28N4O2 — CID 45206909

IUPAC1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCN(Cc1cccc(-n2cccn2)c1)CC1(O)CCCN(CC2CC2)C1=O
InChIInChI=1S/C21H28N4O2/c1-23(14-18-5-2-6-19(13-18)25-12-4-10-22-25)16-21(27)9-3-11-24(20(21)26)15-17-7-8-17/h2,4-6,10,12-13,17,27H,3,7-9,11,14-16H2,1H3
InChIKeyWNCXSZVNJGMFTE-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.07
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one

1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one (PubChem CID 45206909) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
PubChem CID45206909
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCN(Cc1cccc(-n2cccn2)c1)CC1(O)CCCN(CC2CC2)C1=O
InChIInChI=1S/C21H28N4O2/c1-23(14-18-5-2-6-19(13-18)25-12-4-10-22-25)16-21(27)9-3-11-24(20(21)26)15-17-7-8-17/h2,4-6,10,12-13,17,27H,3,7-9,11,14-16H2,1H3
InChIKeyWNCXSZVNJGMFTE-UHFFFAOYSA-N
XLogP2.07
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one (CID 45206909) is 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one is CN(Cc1cccc(-n2cccn2)c1)CC1(O)CCCN(CC2CC2)C1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is WNCXSZVNJGMFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23(14-18-5-2-6-19(13-18)25-12-4-10-22-25)16-21(27)9-3-11-24(20(21)26)15-17-7-8-17/h2,4-6,10,12-13,17,27H,3,7-9,11,14-16H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 45206909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).