2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide

C16H31N3O — CID 106592824

IUPAC2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCCN1C)C1CCCC(N)C1
InChIInChI=1S/C16H31N3O/c1-12(13-6-5-7-14(17)10-13)16(20)18-11-15-8-3-4-9-19(15)2/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyREJASCDFKWTOLQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide

2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide (PubChem CID 106592824) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
PubChem CID106592824
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCCN1C)C1CCCC(N)C1
InChIInChI=1S/C16H31N3O/c1-12(13-6-5-7-14(17)10-13)16(20)18-11-15-8-3-4-9-19(15)2/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyREJASCDFKWTOLQ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
2-(3-aminocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 106592975
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
CID 106593069
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2-carbamothioyl-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 114138111

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide (CID 106592824) is 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide is CC(C(=O)NCC1CCCCN1C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
The InChIKey is REJASCDFKWTOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(13-6-5-7-14(17)10-13)16(20)18-11-15-8-3-4-9-19(15)2/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide is sourced from PubChem (CID 106592824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).