3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide

C16H31N3O — CID 69101335

IUPAC3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide
SMILESCC1[C@@H](CNC(=O)CCN)CCCN1C1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13-14(12-18-16(20)9-10-17)6-5-11-19(13)15-7-3-2-4-8-15/h13-15H,2-12,17H2,1H3,(H,18,20)/t13?,14-/m1/s1
InChIKeyAFNYILMCIPMIQZ-ARLHGKGLSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds5

About 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide

3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide (PubChem CID 69101335) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide
PubChem CID69101335
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide
SMILESCC1[C@@H](CNC(=O)CCN)CCCN1C1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13-14(12-18-16(20)9-10-17)6-5-11-19(13)15-7-3-2-4-8-15/h13-15H,2-12,17H2,1H3,(H,18,20)/t13?,14-/m1/s1
InChIKeyAFNYILMCIPMIQZ-ARLHGKGLSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide (CID 69101335) is 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide is CC1[C@@H](CNC(=O)CCN)CCCN1C1CCCCC1.
What is the InChIKey of 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide?
The InChIKey is AFNYILMCIPMIQZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-14(12-18-16(20)9-10-17)6-5-11-19(13)15-7-3-2-4-8-15/h13-15H,2-12,17H2,1H3,(H,18,20)/t13?,14-/m1/s1.
What are the key properties of 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide?
3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(3R)-1-cyclohexyl-2-methylpiperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 69101335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).