tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate

C24H34N4O3 — CID 96541340

IUPACtert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2)n1
InChIInChI=1S/C24H34N4O3/c1-16-14-17(2)28(26-16)21-11-9-19(10-12-21)22(29)27-13-7-8-20(15-27)18(3)25-23(30)31-24(4,5)6/h9-12,14,18,20H,7-8,13,15H2,1-6H3,(H,25,30)/t18-,20+/m0/s1
InChIKeyRZRPPIPUVMDAEW-AZUAARDMSA-N
MW426.56 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate (PubChem CID 96541340) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate
PubChem CID96541340
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nametert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2)n1
InChIInChI=1S/C24H34N4O3/c1-16-14-17(2)28(26-16)21-11-9-19(10-12-21)22(29)27-13-7-8-20(15-27)18(3)25-23(30)31-24(4,5)6/h9-12,14,18,20H,7-8,13,15H2,1-6H3,(H,25,30)/t18-,20+/m0/s1
InChIKeyRZRPPIPUVMDAEW-AZUAARDMSA-N
XLogP4.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-1-[(3S)-1-(1-benzofuran-2-carbonyl)piperidin-3-yl]ethyl]carbamate
CID 97019216
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560
tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate
CID 99855102
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 119634488
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate
CID 97086186
1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea
CID 95632696
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
tert-butyl N-[(3S)-1-(3-amino-4-propan-2-yloxybenzoyl)piperidin-3-yl]carbamate
CID 171933176
tert-butyl N-[1-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]ethyl]carbamate
CID 71970942
tert-butyl N-[(1R)-1-[(3R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]piperidin-3-yl]ethyl]carbamate
CID 96541332
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 42974100

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate (CID 96541340) is tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate is Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cc2)n1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate?
The InChIKey is RZRPPIPUVMDAEW-AZUAARDMSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16-14-17(2)28(26-16)21-11-9-19(10-12-21)22(29)27-13-7-8-20(15-27)18(3)25-23(30)31-24(4,5)6/h9-12,14,18,20H,7-8,13,15H2,1-6H3,(H,25,30)/t18-,20+/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(3R)-1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 96541340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).