methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate

C14H23NO3 — CID 78919382

IUPACmethyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C14H23NO3/c1-18-14(17)12-7-4-8-15(10-12)13(16)9-11-5-2-3-6-11/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyWHYTURLFVKHHDT-LBPRGKRZSA-N
MW253.34 g/mol
LogP1.98
Rot. Bonds3

About methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate

methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate (PubChem CID 78919382) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
PubChem CID78919382
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C14H23NO3/c1-18-14(17)12-7-4-8-15(10-12)13(16)9-11-5-2-3-6-11/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyWHYTURLFVKHHDT-LBPRGKRZSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
CID 78919267
1-(2-cyclopentylacetyl)-N-cyclopropylpiperidine-3-carboxamide
CID 71935025
methyl 1-(2-cyanoacetyl)piperidine-3-carboxylate
CID 110459560
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate (CID 78919382) is methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate?
The InChIKey is WHYTURLFVKHHDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO3/c1-18-14(17)12-7-4-8-15(10-12)13(16)9-11-5-2-3-6-11/h11-12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).