methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate

C16H29N3O3 — CID 83999189

IUPACmethyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CC(NC2CCCCC2)CN(C(N)=O)C1
InChIInChI=1S/C16H29N3O3/c1-22-15(20)8-7-12-9-14(11-19(10-12)16(17)21)18-13-5-3-2-4-6-13/h12-14,18H,2-11H2,1H3,(H2,17,21)
InChIKeyBBAJMAFMYVGOGM-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.63
Rot. Bonds5

About methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate

methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate (PubChem CID 83999189) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
PubChem CID83999189
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Namemethyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CC(NC2CCCCC2)CN(C(N)=O)C1
InChIInChI=1S/C16H29N3O3/c1-22-15(20)8-7-12-9-14(11-19(10-12)16(17)21)18-13-5-3-2-4-6-13/h12-14,18H,2-11H2,1H3,(H2,17,21)
InChIKeyBBAJMAFMYVGOGM-UHFFFAOYSA-N
XLogP1.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
CID 83999906
3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 83999887
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate (CID 83999189) is methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate is COC(=O)CCC1CC(NC2CCCCC2)CN(C(N)=O)C1.
What is the InChIKey of methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate?
The InChIKey is BBAJMAFMYVGOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-22-15(20)8-7-12-9-14(11-19(10-12)16(17)21)18-13-5-3-2-4-6-13/h12-14,18H,2-11H2,1H3,(H2,17,21).
What are the key properties of methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate?
methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate has a molecular weight of 311.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate is sourced from PubChem (CID 83999189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).