methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate

C15H28N2O2 — CID 83999822

IUPACmethyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC2CCCC2)CN(C(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)17-9-12(15(18)19-3)8-14(10-17)16-13-6-4-5-7-13/h11-14,16H,4-10H2,1-3H3
InChIKeyUVKPXGZRCRMIHK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate

methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate (PubChem CID 83999822) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate
PubChem CID83999822
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC2CCCC2)CN(C(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)17-9-12(15(18)19-3)8-14(10-17)16-13-6-4-5-7-13/h11-14,16H,4-10H2,1-3H3
InChIKeyUVKPXGZRCRMIHK-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 83991561
methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
CID 113351735
1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83999141
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
CID 83996009
1-methyl-4-propan-2-ylpiperazine;methyl 1-propan-2-ylpiperidine-4-carboxylate;bis(1-(1-propan-2-ylpiperidin-3-yl)ethanone);1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 167665547
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate
CID 104628481
methyl 1,4-di(propan-2-yl)pyrrolidine-3-carboxylate
CID 167252053

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate (CID 83999822) is methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate is COC(=O)C1CC(NC2CCCC2)CN(C(C)C)C1.
What is the InChIKey of methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The InChIKey is UVKPXGZRCRMIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)17-9-12(15(18)19-3)8-14(10-17)16-13-6-4-5-7-13/h11-14,16H,4-10H2,1-3H3.
What are the key properties of methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate?
methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 83999822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).