tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate

C16H29N3O4 — CID 58959847

IUPACtert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C16H29N3O4/c1-16(2,3)23-14(21)17-12-4-8-18(9-5-12)15(22)19-10-6-13(20)7-11-19/h12-13,20H,4-11H2,1-3H3,(H,17,21)
InChIKeyHBZYPKGKQCXHHS-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.55
Rot. Bonds1

About tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate (PubChem CID 58959847) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate
PubChem CID58959847
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nametert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C16H29N3O4/c1-16(2,3)23-14(21)17-12-4-8-18(9-5-12)15(22)19-10-6-13(20)7-11-19/h12-13,20H,4-11H2,1-3H3,(H,17,21)
InChIKeyHBZYPKGKQCXHHS-UHFFFAOYSA-N
XLogP1.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]carbamate
CID 72021006
Ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]piperazine-1-carboxylate
CID 21882611
tert-Butyl (1-(3-hydroxypropyl)piperidin-4-yl)carbamate
CID 22243834
Ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate
CID 22474675
tert-Butyl 1-(piperidine-1-carbonyl)piperidin-4-ylcarbamate
CID 53256232
tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate
CID 59600150
{1-[2-(4-Hydroxy-piperidin-1-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841294
{1-[(S)-2-(4-Hydroxy-piperidin-1-yl)-propyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841883
tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
CID 66841885
{1-[(S)-2-((3S,4S)-4-Hydroxy-3-methyl-piperidin-1-yl)-propyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66844927
tert-butyl N-[1-[2-(4-hydroxy-3-methylpiperidin-1-yl)propyl]piperidin-4-yl]carbamate
CID 66844929
tert-butyl N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate
CID 66844930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate (CID 58959847) is tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is HBZYPKGKQCXHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-16(2,3)23-14(21)17-12-4-8-18(9-5-12)15(22)19-10-6-13(20)7-11-19/h12-13,20H,4-11H2,1-3H3,(H,17,21).
What are the key properties of tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 58959847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).