1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate

C19H31N2O5- — CID 22611912

IUPAC1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1
InChIInChI=1S/C19H32N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-16(22)21-10-4-5-15(13-21)17(23)24/h14-15H,4-13H2,1-3H3,(H,23,24)/p-1
InChIKeyVSFRIVKRORDWLD-UHFFFAOYSA-M
MW367.47 g/mol
LogP1.40
Rot. Bonds4

About 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate

1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 22611912) has the molecular formula C19H31N2O5- and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Name1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
PubChem CID22611912
Molecular FormulaC19H31N2O5-
Molecular Weight367.47 g/mol
Exact Mass367.22
IUPAC Name1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1
InChIInChI=1S/C19H32N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-16(22)21-10-4-5-15(13-21)17(23)24/h14-15H,4-13H2,1-3H3,(H,23,24)/p-1
InChIKeyVSFRIVKRORDWLD-UHFFFAOYSA-M
XLogP1.40
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
CID 123443025
(2,5-dihydroxypyrrol-1-yl) 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
CID 123223311
tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
CID 11529681
tert-butyl 4-[3-[3-[[1-(4-hydroxyphenyl)-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 78055565
4-[3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 22611840
tert-butyl 4-(piperidin-1-yloxymethyl)piperidine-1-carboxylate
CID 175363722
(3R)-1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]butanoyl]piperidine-3-carboxylic acid
CID 70237117
(2S)-2-[[[(3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid
CID 18738172
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
tert-butyl 4-[3-[(3R)-3-[[(3S)-5-(4-methylpentoxy)-5-oxopent-1-yn-3-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 86758028
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
lithium 5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azocane-3-carboxylate
CID 171841156

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
The IUPAC name of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate (CID 22611912) is 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1.
What is the InChIKey of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
The InChIKey is VSFRIVKRORDWLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H32N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-16(22)21-10-4-5-15(13-21)17(23)24/h14-15H,4-13H2,1-3H3,(H,23,24)/p-1.
What are the key properties of 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 367.47 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 22611912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).