(5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one

C12H19BrN4O — CID 97322682

IUPAC(5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one
SMILESC[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCC(=O)N(C)C1
InChIInChI=1S/C12H19BrN4O/c1-9(6-17-7-10(13)5-14-17)15-11-3-4-12(18)16(2)8-11/h5,7,9,11,15H,3-4,6,8H2,1-2H3/t9-,11+/m0/s1
InChIKeyZYBBHLWTSJEMRL-GXSJLCMTSA-N
MW315.22 g/mol
LogP1.24
Rot. Bonds4

About (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one

(5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one (PubChem CID 97322682) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one
PubChem CID97322682
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name(5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one
SMILESC[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCC(=O)N(C)C1
InChIInChI=1S/C12H19BrN4O/c1-9(6-17-7-10(13)5-14-17)15-11-3-4-12(18)16(2)8-11/h5,7,9,11,15H,3-4,6,8H2,1-2H3/t9-,11+/m0/s1
InChIKeyZYBBHLWTSJEMRL-GXSJLCMTSA-N
XLogP1.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one with MolForge

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Related Compounds

3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
2-(4-Bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 45153794
2-(4-Bromopyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45153795
2-(4-Bromo-1H-pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 45153809
2-(4-Bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 56725086
3-(1-methyl-2-piperidinyl)-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 72940670
2-(4-bromopyrazol-1-yl)-N-cyclopentylacetamide
CID 19524496
N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-(1-piperidinyl)butanamide
CID 72838842
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one?
The IUPAC name of (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one (CID 97322682) is (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one is C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCC(=O)N(C)C1.
What is the InChIKey of (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is ZYBBHLWTSJEMRL-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-9(6-17-7-10(13)5-14-17)15-11-3-4-12(18)16(2)8-11/h5,7,9,11,15H,3-4,6,8H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one?
(5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 315.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 97322682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).