methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate

C16H28N2O3 — CID 83999906

IUPACmethyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CC(NC2CCCC2)CN(C(C)=O)C1
InChIInChI=1S/C16H28N2O3/c1-12(19)18-10-13(7-8-16(20)21-2)9-15(11-18)17-14-5-3-4-6-14/h13-15,17H,3-11H2,1-2H3
InChIKeyKTCJWSIXRNXNOP-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

About methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate

methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate (PubChem CID 83999906) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
PubChem CID83999906
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CC(NC2CCCC2)CN(C(C)=O)C1
InChIInChI=1S/C16H28N2O3/c1-12(19)18-10-13(7-8-16(20)21-2)9-15(11-18)17-14-5-3-4-6-14/h13-15,17H,3-11H2,1-2H3
InChIKeyKTCJWSIXRNXNOP-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
methyl 3-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propanoate
CID 83992296
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
methyl 3-[1-acetyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995757
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate (CID 83999906) is methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate is COC(=O)CCC1CC(NC2CCCC2)CN(C(C)=O)C1.
What is the InChIKey of methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate?
The InChIKey is KTCJWSIXRNXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(19)18-10-13(7-8-16(20)21-2)9-15(11-18)17-14-5-3-4-6-14/h13-15,17H,3-11H2,1-2H3.
What are the key properties of methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate?
methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate is sourced from PubChem (CID 83999906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).