tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate

C18H33N3O3 — CID 75467169

IUPACtert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-5-20-12-9-14(10-13-20)19-16(22)15-8-6-7-11-21(15)17(23)24-18(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m0/s1
InChIKeyOTUIZLGEJWLBJY-HNNXBMFYSA-N
MW339.48 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 75467169) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID75467169
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nametert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-5-20-12-9-14(10-13-20)19-16(22)15-8-6-7-11-21(15)17(23)24-18(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m0/s1
InChIKeyOTUIZLGEJWLBJY-HNNXBMFYSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-oxo-4-(piperidin-3-yl)piperazine-1-carboxylate
CID 75458691
Tert-butyl 3-oxo-4-(piperidin-4-yl)piperazine-1-carboxylate
CID 23138143
Tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 51072284
tert-butyl (2R)-2-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 52493547
Tert-butyl 2-oxo-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 72207254
rac-tert-butyl (4aR,8aS)-3-oxo-decahydropyrido(3,4-b)pyrazine-1-carboxylate
CID 52421354
3-[2-(Tert-butoxycarbonylamino)dodecanoylamino]propyl-trimethyl-ammonium
CID 71591628
tert-Butyl 2-carbamoylpiperidine-1-carboxylate
CID 2756820
tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate
CID 59370250
Tert-butyl 4-[1-[(1-tert-butylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 75423530
tert-butyl 4-[[(2S)-2-carbamoylpiperidin-1-yl]methyl]piperidine-1-carboxylate
CID 95284845
tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate
CID 95785443

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate (CID 75467169) is tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate is CCN1CCC(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is OTUIZLGEJWLBJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-5-20-12-9-14(10-13-20)19-16(22)15-8-6-7-11-21(15)17(23)24-18(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1-ethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 75467169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).