1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

C15H26N4O — CID 131892234

IUPAC1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCn1ccc(CNC2CCCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-19-9-7-13(17-19)10-16-14-6-5-8-18(11-14)15(20)12(2)3/h7,9,12,14,16H,4-6,8,10-11H2,1-3H3
InChIKeyIAFSEGSXDLTAHB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.64
Rot. Bonds5

About 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 131892234) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID131892234
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCn1ccc(CNC2CCCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-19-9-7-13(17-19)10-16-14-6-5-8-18(11-14)15(20)12(2)3/h7,9,12,14,16H,4-6,8,10-11H2,1-3H3
InChIKeyIAFSEGSXDLTAHB-UHFFFAOYSA-N
XLogP1.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 131894675
1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 131945464
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
CID 71047048
N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 83168369
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[[1-(2-ethylbutyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 82925368
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 131892234) is 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is CCn1ccc(CNC2CCCN(C(=O)C(C)C)C2)n1.
What is the InChIKey of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is IAFSEGSXDLTAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19-9-7-13(17-19)10-16-14-6-5-8-18(11-14)15(20)12(2)3/h7,9,12,14,16H,4-6,8,10-11H2,1-3H3.
What are the key properties of 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 131892234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).