(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C17H22N4O — CID 56753036

IUPAC(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-12(18)17(22)21-9-7-14(8-10-21)16-15(11-19-20-16)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,18H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQXVJMANAUFONQP-LBPRGKRZSA-N
MW298.39 g/mol
LogP2.13
Rot. Bonds3

About (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 56753036) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID56753036
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-12(18)17(22)21-9-7-14(8-10-21)16-15(11-19-20-16)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,18H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQXVJMANAUFONQP-LBPRGKRZSA-N
XLogP2.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 56753036) is (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is QXVJMANAUFONQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(18)17(22)21-9-7-14(8-10-21)16-15(11-19-20-16)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,18H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).