butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate

C16H30N2O6 — CID 19020689

IUPACbutanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCNCC1.O=C(O)CCC(=O)O
InChIInChI=1S/C12H24N2O2.C4H6O4/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10;5-3(6)1-2-4(7)8/h10,13H,4-9H2,1-3H3,(H,14,15);1-2H2,(H,5,6)(H,7,8)
InChIKeyUKEFSLNAGXLZTD-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.84
Rot. Bonds6

About butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate

butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate (PubChem CID 19020689) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate.

Molecular Properties

Compound Namebutanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
PubChem CID19020689
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Namebutanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCNCC1.O=C(O)CCC(=O)O
InChIInChI=1S/C12H24N2O2.C4H6O4/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10;5-3(6)1-2-4(7)8/h10,13H,4-9H2,1-3H3,(H,14,15);1-2H2,(H,5,6)(H,7,8)
InChIKeyUKEFSLNAGXLZTD-UHFFFAOYSA-N
XLogP1.84
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
CID 84813188
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
cis-(1R,3S)-cyclopentane-1,3-diamine;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 143194126
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate
CID 84809189
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate?
The IUPAC name of butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate (CID 19020689) is butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate.
What is the SMILES notation for butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate?
The canonical SMILES for butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate is CC(C)(C)OC(=O)NCCC1CCNCC1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate?
The InChIKey is UKEFSLNAGXLZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C4H6O4/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10;5-3(6)1-2-4(7)8/h10,13H,4-9H2,1-3H3,(H,14,15);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate?
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate has a molecular weight of 346.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate is sourced from PubChem (CID 19020689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).