tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate

C15H27N3O4 — CID 94813303

IUPACtert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27N3O4/c1-11(19)18-9-5-6-12(10-18)13(20)16-7-8-17-14(21)22-15(2,3)4/h12H,5-10H2,1-4H3,(H,16,20)(H,17,21)/t12-/m0/s1
InChIKeyDZKSJJXAZYKRNU-LBPRGKRZSA-N
MW313.40 g/mol
LogP0.89
Rot. Bonds4

About tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate (PubChem CID 94813303) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
PubChem CID94813303
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Nametert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27N3O4/c1-11(19)18-9-5-6-12(10-18)13(20)16-7-8-17-14(21)22-15(2,3)4/h12H,5-10H2,1-4H3,(H,16,20)(H,17,21)/t12-/m0/s1
InChIKeyDZKSJJXAZYKRNU-LBPRGKRZSA-N
XLogP0.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 52508323
tert-butyl N-[2-[[1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 49077996
tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 52511320
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl N-[2-[[1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944150
tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[2-[[1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944041
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate (CID 94813303) is tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate is CC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is DZKSJJXAZYKRNU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-11(19)18-9-5-6-12(10-18)13(20)16-7-8-17-14(21)22-15(2,3)4/h12H,5-10H2,1-4H3,(H,16,20)(H,17,21)/t12-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 94813303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).