3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C14H25BrClN5O — CID 120911373

IUPAC3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.Cn1ncc(Br)c1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C14H24BrN5O.ClH/c1-19-13(12(15)9-18-19)10-20-7-3-2-4-11(20)8-17-14(21)5-6-16;/h9,11H,2-8,10,16H2,1H3,(H,17,21);1H
InChIKeyZZMLQBWGSCPUPH-UHFFFAOYSA-N
MW394.75 g/mol
LogP1.42
Rot. Bonds6

About 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911373) has the molecular formula C14H25BrClN5O and a molecular weight of 394.75 g/mol. Its IUPAC name is 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911373
Molecular FormulaC14H25BrClN5O
Molecular Weight394.75 g/mol
Exact Mass393.09
IUPAC Name3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.Cn1ncc(Br)c1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C14H24BrN5O.ClH/c1-19-13(12(15)9-18-19)10-20-7-3-2-4-11(20)8-17-14(21)5-6-16;/h9,11H,2-8,10,16H2,1H3,(H,17,21);1H
InChIKeyZZMLQBWGSCPUPH-UHFFFAOYSA-N
XLogP1.42
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.75
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911130
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911161
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911016
3-amino-N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911586
3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911408
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911528
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911373) is 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.Cn1ncc(Br)c1CN1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is ZZMLQBWGSCPUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN5O.ClH/c1-19-13(12(15)9-18-19)10-20-7-3-2-4-11(20)8-17-14(21)5-6-16;/h9,11H,2-8,10,16H2,1H3,(H,17,21);1H.
What are the key properties of 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 394.75 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).