N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide

C18H33N3O3 — CID 171593978

IUPACN-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)[C@@H](N)[C@@H](C)OCC2CCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-13(24-12-15-7-4-3-5-8-15)17(19)18(23)21-10-6-9-16(11-21)20-14(2)22/h13,15-17H,3-12,19H2,1-2H3,(H,20,22)/t13-,16+,17+/m1/s1
InChIKeyKSWCLWDRAZBOMJ-COXVUDFISA-N
MW339.48 g/mol
LogP1.43
Rot. Bonds6

About N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide

N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide (PubChem CID 171593978) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide
PubChem CID171593978
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)[C@@H](N)[C@@H](C)OCC2CCCCC2)C1
InChIInChI=1S/C18H33N3O3/c1-13(24-12-15-7-4-3-5-8-15)17(19)18(23)21-10-6-9-16(11-21)20-14(2)22/h13,15-17H,3-12,19H2,1-2H3,(H,20,22)/t13-,16+,17+/m1/s1
InChIKeyKSWCLWDRAZBOMJ-COXVUDFISA-N
XLogP1.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide with MolForge

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Related Compounds

benzyl N-[(3R)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]carbamate
CID 171593752
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
(2S,3R)-2-amino-3-[(1R)-1-cyclohexylethoxy]-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 171593995
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide
CID 65227144
(2S,3R)-2-amino-3-(oxan-4-ylmethoxy)-1-[(3S)-3-(trifluoromethoxymethyl)piperidin-1-yl]butan-1-one
CID 171593711
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide (CID 171593978) is N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)[C@@H](N)[C@@H](C)OCC2CCCCC2)C1.
What is the InChIKey of N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide?
The InChIKey is KSWCLWDRAZBOMJ-COXVUDFISA-N. The full InChI is InChI=1S/C18H33N3O3/c1-13(24-12-15-7-4-3-5-8-15)17(19)18(23)21-10-6-9-16(11-21)20-14(2)22/h13,15-17H,3-12,19H2,1-2H3,(H,20,22)/t13-,16+,17+/m1/s1.
What are the key properties of N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 171593978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).