tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate

C15H25N5O3 — CID 95614884

IUPACtert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C15H25N5O3/c1-10(17-14(22)23-15(2,3)4)11-5-7-20(8-6-11)13(21)12-9-16-19-18-12/h9-11H,5-8H2,1-4H3,(H,17,22)(H,16,18,19)/t10-/m1/s1
InChIKeyOJNCWKZZLJHFEY-SNVBAGLBSA-N
MW323.40 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate (PubChem CID 95614884) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate
PubChem CID95614884
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Nametert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C15H25N5O3/c1-10(17-14(22)23-15(2,3)4)11-5-7-20(8-6-11)13(21)12-9-16-19-18-12/h9-11H,5-8H2,1-4H3,(H,17,22)(H,16,18,19)/t10-/m1/s1
InChIKeyOJNCWKZZLJHFEY-SNVBAGLBSA-N
XLogP1.57
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 112733485
tert-butyl 4-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]piperidine-1-carboxylate
CID 154652435
tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
CID 57465844
tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
CID 95312192
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
tert-butyl (3S)-3-(2H-triazol-4-yl)azepane-1-carboxylate
CID 155904354
tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
CID 178200958
tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate
CID 97086168

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate (CID 95614884) is tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn[nH]n2)CC1.
What is the InChIKey of tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is OJNCWKZZLJHFEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-10(17-14(22)23-15(2,3)4)11-5-7-20(8-6-11)13(21)12-9-16-19-18-12/h9-11H,5-8H2,1-4H3,(H,17,22)(H,16,18,19)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 323.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 95614884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).