N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide

C16H31N3O — CID 63249992

IUPACN-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCNCC1CCCCN1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(16(20)18-14-8-4-3-5-9-14)19-11-7-6-10-15(19)12-17-2/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyBPZXEVVWBHNZSR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds5

About N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide

N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide (PubChem CID 63249992) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
PubChem CID63249992
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCNCC1CCCCN1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(16(20)18-14-8-4-3-5-9-14)19-11-7-6-10-15(19)12-17-2/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyBPZXEVVWBHNZSR-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62655889
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide
CID 63849393
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63847130
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide
CID 114338889
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide (CID 63249992) is N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide is CNCC1CCCCN1C(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide?
The InChIKey is BPZXEVVWBHNZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(16(20)18-14-8-4-3-5-9-14)19-11-7-6-10-15(19)12-17-2/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide?
N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 63249992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).