tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate

C24H33N5O3 — CID 166110435

IUPACtert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc2n1
InChIInChI=1S/C24H33N5O3/c1-17-25-20-10-6-5-9-19(20)21(26-17)27-12-14-28(15-13-27)22(30)18-8-7-11-29(16-18)23(31)32-24(2,3)4/h5-6,9-10,18H,7-8,11-16H2,1-4H3
InChIKeyRYNVVDMYHVGBTJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.23
Rot. Bonds2

About tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 166110435) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
PubChem CID166110435
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Nametert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc2n1
InChIInChI=1S/C24H33N5O3/c1-17-25-20-10-6-5-9-19(20)21(26-17)27-12-14-28(15-13-27)22(30)18-8-7-11-29(16-18)23(31)32-24(2,3)4/h5-6,9-10,18H,7-8,11-16H2,1-4H3
InChIKeyRYNVVDMYHVGBTJ-UHFFFAOYSA-N
XLogP3.23
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 166110445
tert-butyl (3R)-3-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 59568263
tert-butyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 84557684
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl (3S)-3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate;sulfane
CID 167584254
butyl 3-[4-(2-methylquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 172745007
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl 4-quinazolin-4-yl-1,4-diazepane-1-carboxylate
CID 69365805
tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 54491210
tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 175941744
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 50986435

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate (CID 166110435) is tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate is Cc1nc(N2CCN(C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc2n1.
What is the InChIKey of tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is RYNVVDMYHVGBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-17-25-20-10-6-5-9-19(20)21(26-17)27-12-14-28(15-13-27)22(30)18-8-7-11-29(16-18)23(31)32-24(2,3)4/h5-6,9-10,18H,7-8,11-16H2,1-4H3.
What are the key properties of tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate?
tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 439.56 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(2-methylquinazolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 166110435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).