3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide

C19H35N3O2 — CID 120580099

IUPAC3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCCC1CCCCC1
InChIInChI=1S/C19H35N3O2/c20-13-12-18(23)21-15-17-10-4-5-14-22(17)19(24)11-6-9-16-7-2-1-3-8-16/h16-17H,1-15,20H2,(H,21,23)
InChIKeyYZDWPXKYCJEPPQ-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.58
Rot. Bonds8

About 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120580099) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120580099
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCCC1CCCCC1
InChIInChI=1S/C19H35N3O2/c20-13-12-18(23)21-15-17-10-4-5-14-22(17)19(24)11-6-9-16-7-2-1-3-8-16/h16-17H,1-15,20H2,(H,21,23)
InChIKeyYZDWPXKYCJEPPQ-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581306
3-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide;(E)-but-2-enedioic acid
CID 19778253
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide (CID 120580099) is 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)CCCC1CCCCC1.
What is the InChIKey of 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is YZDWPXKYCJEPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c20-13-12-18(23)21-15-17-10-4-5-14-22(17)19(24)11-6-9-16-7-2-1-3-8-16/h16-17H,1-15,20H2,(H,21,23).
What are the key properties of 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 337.51 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120580099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).