tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate

C24H32N4O3 — CID 73387819

IUPACtert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc(C(=O)N(C3CC3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1
InChIInChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-13-11-21(12-14-27)28(20-9-10-20)22(29)18-7-5-17(6-8-18)19-15-25-26(4)16-19/h5-8,15-16,20-21H,9-14H2,1-4H3
InChIKeyZHQYXCROKDGPDE-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.09
Rot. Bonds4

About tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 73387819) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID73387819
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Nametert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc(C(=O)N(C3CC3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1
InChIInChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-13-11-21(12-14-27)28(20-9-10-20)22(29)18-7-5-17(6-8-18)19-15-25-26(4)16-19/h5-8,15-16,20-21H,9-14H2,1-4H3
InChIKeyZHQYXCROKDGPDE-UHFFFAOYSA-N
XLogP4.09
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate (CID 73387819) is tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate is Cn1cc(-c2ccc(C(=O)N(C3CC3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is ZHQYXCROKDGPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-13-11-21(12-14-27)28(20-9-10-20)22(29)18-7-5-17(6-8-18)19-15-25-26(4)16-19/h5-8,15-16,20-21H,9-14H2,1-4H3.
What are the key properties of tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 424.55 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-[4-(1-methylpyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 73387819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).