tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide

C24H30N4O3 — CID 174613981

IUPACtert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide
SMILESCC(C)(C)OC=O.O=C(NC1CCNCC1)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O.C5H10O2/c24-19(21-16-9-11-20-12-10-16)14-5-7-17(8-6-14)23-13-15-3-1-2-4-18(15)22-23;1-5(2,3)7-4-6/h1-8,13,16,20H,9-12H2,(H,21,24);4H,1-3H3
InChIKeyBEVQBOVTSQJTHW-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide

tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide (PubChem CID 174613981) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Nametert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide
PubChem CID174613981
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Nametert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide
SMILESCC(C)(C)OC=O.O=C(NC1CCNCC1)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O.C5H10O2/c24-19(21-16-9-11-20-12-10-16)14-5-7-17(8-6-14)23-13-15-3-1-2-4-18(15)22-23;1-5(2,3)7-4-6/h1-8,13,16,20H,9-12H2,(H,21,24);4H,1-3H3
InChIKeyBEVQBOVTSQJTHW-UHFFFAOYSA-N
XLogP3.47
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
CID 174760700
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
CID 174569625
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
2-[4-(piperidin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide
CID 67341288
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide?
The IUPAC name of tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide (CID 174613981) is tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide?
The canonical SMILES for tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide is CC(C)(C)OC=O.O=C(NC1CCNCC1)c1ccc(-n2cc3ccccc3n2)cc1.
What is the InChIKey of tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide?
The InChIKey is BEVQBOVTSQJTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C5H10O2/c24-19(21-16-9-11-20-12-10-16)14-5-7-17(8-6-14)23-13-15-3-1-2-4-18(15)22-23;1-5(2,3)7-4-6/h1-8,13,16,20H,9-12H2,(H,21,24);4H,1-3H3.
What are the key properties of tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide?
tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-indazol-2-yl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 174613981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).