tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate

C15H27N3O3 — CID 27281779

IUPACtert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(C2CCNCC2)C1=O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-12-5-4-10-18(13(12)19)11-6-8-16-9-7-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyMZBBYUMARNZSQB-LBPRGKRZSA-N
MW297.40 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate

tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate (PubChem CID 27281779) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate
PubChem CID27281779
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(C2CCNCC2)C1=O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-12-5-4-10-18(13(12)19)11-6-8-16-9-7-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyMZBBYUMARNZSQB-LBPRGKRZSA-N
XLogP1.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(dimethylcarbamoyl)-2-oxoazepan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate (CID 27281779) is tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCN(C2CCNCC2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate?
The InChIKey is MZBBYUMARNZSQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-12-5-4-10-18(13(12)19)11-6-8-16-9-7-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 27281779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).