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

C23H30N4O3 — CID 73387818

IUPACtert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C2CC2)CC1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)26-12-10-20(11-13-26)27(19-8-9-19)21(28)17-6-4-16(5-7-17)18-14-24-25-15-18/h4-7,14-15,19-20H,8-13H2,1-3H3,(H,24,25)
InChIKeyROHPWUYZYGMUEV-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.08
Rot. Bonds4

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

tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 73387818) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID73387818
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Nametert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C2CC2)CC1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)26-12-10-20(11-13-26)27(19-8-9-19)21(28)17-6-4-16(5-7-17)18-14-24-25-15-18/h4-7,14-15,19-20H,8-13H2,1-3H3,(H,24,25)
InChIKeyROHPWUYZYGMUEV-UHFFFAOYSA-N
XLogP4.08
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate (CID 73387818) is tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is ROHPWUYZYGMUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)26-12-10-20(11-13-26)27(19-8-9-19)21(28)17-6-4-16(5-7-17)18-14-24-25-15-18/h4-7,14-15,19-20H,8-13H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 410.52 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 73387818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).