(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one

C18H24N4O — CID 124696045

IUPAC(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCn1nccc1C1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c1-21-17(7-10-20-21)15-8-11-22(12-9-15)18(23)16(13-19)14-5-3-2-4-6-14/h2-7,10,15-16H,8-9,11-13,19H2,1H3/t16-/m0/s1
InChIKeyPKTLTYPHUCLNAI-INIZCTEOSA-N
MW312.42 g/mol
LogP1.87
Rot. Bonds4

About (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one

(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 124696045) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID124696045
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCn1nccc1C1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c1-21-17(7-10-20-21)15-8-11-22(12-9-15)18(23)16(13-19)14-5-3-2-4-6-14/h2-7,10,15-16H,8-9,11-13,19H2,1H3/t16-/m0/s1
InChIKeyPKTLTYPHUCLNAI-INIZCTEOSA-N
XLogP1.87
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one with MolForge

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Related Compounds

3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503635
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 97334827
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119946982
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide
CID 51104331
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one
CID 62877976
7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride
CID 119873963
1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 146132579
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
CID 119683415

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one (CID 124696045) is (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one is Cn1nccc1C1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1.
What is the InChIKey of (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is PKTLTYPHUCLNAI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-17(7-10-20-21)15-8-11-22(12-9-15)18(23)16(13-19)14-5-3-2-4-6-14/h2-7,10,15-16H,8-9,11-13,19H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one?
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 312.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 124696045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).