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

C17H33N3O — CID 120910898

IUPAC3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCC1CCCC(CN2CCCCC2CNC(=O)CCN)C1
InChIInChI=1S/C17H33N3O/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)
InChIKeyXCNJBGDVSYQFMF-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds6

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

3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120910898) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120910898
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCC1CCCC(CN2CCCCC2CNC(=O)CCN)C1
InChIInChI=1S/C17H33N3O/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)
InChIKeyXCNJBGDVSYQFMF-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
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;hydrochloride
CID 120910897
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
1-[(3-methylcyclohexyl)methyl]piperidin-2-amine
CID 163170987
3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584411
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide (CID 120910898) is 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide is CC1CCCC(CN2CCCCC2CNC(=O)CCN)C1.
What is the InChIKey of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is XCNJBGDVSYQFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/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).
What are the key properties of 3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 120910898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).