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

C14H24N4O2 — CID 56881149

IUPAC1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCO[C@H]1CN(C(=O)CCc2n[nH]c(C)c2C)CC[C@H]1N
InChIInChI=1S/C14H24N4O2/c1-9-10(2)16-17-12(9)4-5-14(19)18-7-6-11(15)13(8-18)20-3/h11,13H,4-8,15H2,1-3H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyQZAVCRJEGVKAOD-YPMHNXCESA-N
MW280.37 g/mol
LogP0.53
Rot. Bonds4

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

1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (PubChem CID 56881149) 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-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
PubChem CID56881149
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCO[C@H]1CN(C(=O)CCc2n[nH]c(C)c2C)CC[C@H]1N
InChIInChI=1S/C14H24N4O2/c1-9-10(2)16-17-12(9)4-5-14(19)18-7-6-11(15)13(8-18)20-3/h11,13H,4-8,15H2,1-3H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyQZAVCRJEGVKAOD-YPMHNXCESA-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-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
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
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-{[1-(2-methoxyethyl)piperidin-4-YL]methyl}-N-methylacetamide
CID 70747717
(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
(1R*,3S*)-7-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70758097
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
{(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
1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4,4-difluoropiperidine
CID 74239325
5-cyclopropyl-N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl}-3-methyl-1H-pyrazole-4-carboxamide
CID 118769485

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (CID 56881149) is 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is CO[C@H]1CN(C(=O)CCc2n[nH]c(C)c2C)CC[C@H]1N.
What is the InChIKey of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The InChIKey is QZAVCRJEGVKAOD-YPMHNXCESA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-10(2)16-17-12(9)4-5-14(19)18-7-6-11(15)13(8-18)20-3/h11,13H,4-8,15H2,1-3H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-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-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is sourced from PubChem (CID 56881149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).