3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C22H30N4O2 — CID 126782574

IUPAC3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1cccc(C2(CNC3CCCN(c4cnn(C)c4)C3=O)CCCC2)c1
InChIInChI=1S/C22H30N4O2/c1-25-15-18(14-24-25)26-12-6-9-20(21(26)27)23-16-22(10-3-4-11-22)17-7-5-8-19(13-17)28-2/h5,7-8,13-15,20,23H,3-4,6,9-12,16H2,1-2H3
InChIKeyYTADYBUKXOKPQF-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.03
Rot. Bonds6

About 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 126782574) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID126782574
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1cccc(C2(CNC3CCCN(c4cnn(C)c4)C3=O)CCCC2)c1
InChIInChI=1S/C22H30N4O2/c1-25-15-18(14-24-25)26-12-6-9-20(21(26)27)23-16-22(10-3-4-11-22)17-7-5-8-19(13-17)28-2/h5,7-8,13-15,20,23H,3-4,6,9-12,16H2,1-2H3
InChIKeyYTADYBUKXOKPQF-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109432621
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
3-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 126783858
3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71870045
1-(1-methylpyrazol-4-yl)-3-(2-pyrazol-1-ylethylamino)piperidin-2-one
CID 127354102
3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71991007
3-amino-4-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]cyclobut-3-ene-1,2-dione
CID 167876645
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
(3R)-1-(3-methoxyphenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]piperidin-2-one
CID 99643162
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 139004180
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 126782574) is 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is COc1cccc(C2(CNC3CCCN(c4cnn(C)c4)C3=O)CCCC2)c1.
What is the InChIKey of 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is YTADYBUKXOKPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25-15-18(14-24-25)26-12-6-9-20(21(26)27)23-16-22(10-3-4-11-22)17-7-5-8-19(13-17)28-2/h5,7-8,13-15,20,23H,3-4,6,9-12,16H2,1-2H3.
What are the key properties of 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 382.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 126782574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).