1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one

C14H24N4O2 — CID 56867586

IUPAC1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
SMILESCO[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[C@H]1N
InChIInChI=1S/C14H24N4O2/c1-9-11(10(2)17-16-9)4-5-14(19)18-7-6-12(15)13(8-18)20-3/h12-13H,4-8,15H2,1-3H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyZVROZNUODANORI-OLZOCXBDSA-N
MW280.37 g/mol
LogP0.53
Rot. Bonds4

About 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one

1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one (PubChem CID 56867586) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
PubChem CID56867586
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
SMILESCO[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[C@H]1N
InChIInChI=1S/C14H24N4O2/c1-9-11(10(2)17-16-9)4-5-14(19)18-7-6-12(15)13(8-18)20-3/h12-13H,4-8,15H2,1-3H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyZVROZNUODANORI-OLZOCXBDSA-N
XLogP0.53
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 110108975
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 118740051
(1R*,5R*)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133119675
(1S*,5R*)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133138145
(1S,5R)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70721138
{(3R*,4R*)-4-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}methanol
CID 70776655
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
CID 72906328
5-cyclopropyl-N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl}-3-methyl-1H-pyrazole-4-carboxamide
CID 118769485
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 121523542
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 164640998
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 109903206

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one (CID 56867586) is 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one is CO[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[C@H]1N.
What is the InChIKey of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
The InChIKey is ZVROZNUODANORI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-11(10(2)17-16-9)4-5-14(19)18-7-6-12(15)13(8-18)20-3/h12-13H,4-8,15H2,1-3H3,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 56867586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).