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

C15H27NO3 — CID 113329988

IUPACmethyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
SMILESCCCC(CCC)C(=O)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H27NO3/c1-4-7-12(8-5-2)14(17)16-10-6-9-13(11-16)15(18)19-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyVLBYXLURWXFYKH-ZDUSSCGKSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds6

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

methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate (PubChem CID 113329988) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
PubChem CID113329988
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
SMILESCCCC(CCC)C(=O)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H27NO3/c1-4-7-12(8-5-2)14(17)16-10-6-9-13(11-16)15(18)19-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyVLBYXLURWXFYKH-ZDUSSCGKSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate
CID 78919646
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
methyl 1-(2-bromo-3-methylbutanoyl)piperidine-3-carboxylate
CID 115534218
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate (CID 113329988) is methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate is CCCC(CCC)C(=O)N1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate?
The InChIKey is VLBYXLURWXFYKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-7-12(8-5-2)14(17)16-10-6-9-13(11-16)15(18)19-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 113329988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).