3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C17H34ClN3O — CID 120910897

IUPAC3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC1CCCC(CN2CCCCC2CNC(=O)CCN)C1.Cl
InChIInChI=1S/C17H33N3O.ClH/c1-14-5-4-6-15(11-14)13-20-10-3-2-7-16(20)12-19-17(21)8-9-18;/h14-16H,2-13,18H2,1H3,(H,19,21);1H
InChIKeyILLZTRAPROKAGF-UHFFFAOYSA-N
MW331.93 g/mol
LogP2.55
Rot. Bonds6

About 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120910897) has the molecular formula C17H34ClN3O and a molecular weight of 331.93 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120910897
Molecular FormulaC17H34ClN3O
Molecular Weight331.93 g/mol
Exact Mass331.24
IUPAC Name3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC1CCCC(CN2CCCCC2CNC(=O)CCN)C1.Cl
InChIInChI=1S/C17H33N3O.ClH/c1-14-5-4-6-15(11-14)13-20-10-3-2-7-16(20)12-19-17(21)8-9-18;/h14-16H,2-13,18H2,1H3,(H,19,21);1H
InChIKeyILLZTRAPROKAGF-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.93
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910898
3-amino-N-[[1-[(2-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911094
3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581306
3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
CID 120967162
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120580308
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120910897) is 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is CC1CCCC(CN2CCCCC2CNC(=O)CCN)C1.Cl.
What is the InChIKey of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is ILLZTRAPROKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.ClH/c1-14-5-4-6-15(11-14)13-20-10-3-2-7-16(20)12-19-17(21)8-9-18;/h14-16H,2-13,18H2,1H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 331.93 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120910897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).