(2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one

C17H30N4O2 — CID 95139932

IUPAC(2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1c(CN[C@H](C)C(=O)N2CCCCC2)c(C(C)C)nn1C
InChIInChI=1S/C17H30N4O2/c1-12(2)15-14(17(23-5)20(4)19-15)11-18-13(3)16(22)21-9-7-6-8-10-21/h12-13,18H,6-11H2,1-5H3/t13-/m1/s1
InChIKeyZGMRXUWHQOBHOS-CYBMUJFWSA-N
MW322.45 g/mol
LogP2.04
Rot. Bonds6

About (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one

(2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 95139932) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID95139932
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1c(CN[C@H](C)C(=O)N2CCCCC2)c(C(C)C)nn1C
InChIInChI=1S/C17H30N4O2/c1-12(2)15-14(17(23-5)20(4)19-15)11-18-13(3)16(22)21-9-7-6-8-10-21/h12-13,18H,6-11H2,1-5H3/t13-/m1/s1
InChIKeyZGMRXUWHQOBHOS-CYBMUJFWSA-N
XLogP2.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615260
N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 51104736
3-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117124649
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931889
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168
2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60932132
2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 51131342
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115625678

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 95139932) is (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one is COc1c(CN[C@H](C)C(=O)N2CCCCC2)c(C(C)C)nn1C.
What is the InChIKey of (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZGMRXUWHQOBHOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12(2)15-14(17(23-5)20(4)19-15)11-18-13(3)16(22)21-9-7-6-8-10-21/h12-13,18H,6-11H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
(2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 322.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 95139932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).