tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate

C14H27N3O3 — CID 79307958

IUPACtert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1(C(N)=O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-5-8-16-14(11(15)18)7-6-9-17(10-14)12(19)20-13(2,3)4/h16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyNHYSBWAQXBNBKP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate

tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate (PubChem CID 79307958) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate
PubChem CID79307958
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1(C(N)=O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-5-8-16-14(11(15)18)7-6-9-17(10-14)12(19)20-13(2,3)4/h16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyNHYSBWAQXBNBKP-UHFFFAOYSA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739379
tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 165464013
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate (CID 79307958) is tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate is CCCNC1(C(N)=O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate?
The InChIKey is NHYSBWAQXBNBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-8-16-14(11(15)18)7-6-9-17(10-14)12(19)20-13(2,3)4/h16H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate?
tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate is sourced from PubChem (CID 79307958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).