piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate

C19H25N5O2 — CID 143957233

IUPACpiperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate
SMILESCN(C(=O)OC1CCNCC1)C1CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C19H25N5O2/c1-23(19(25)26-15-6-9-20-10-7-15)14-8-11-24(12-14)18-16-4-2-3-5-17(16)21-13-22-18/h2-5,13-15,20H,6-12H2,1H3
InChIKeyQUFYZHICUGVNQW-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.03
Rot. Bonds3

About piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate

piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate (PubChem CID 143957233) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate
PubChem CID143957233
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Namepiperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate
SMILESCN(C(=O)OC1CCNCC1)C1CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C19H25N5O2/c1-23(19(25)26-15-6-9-20-10-7-15)14-8-11-24(12-14)18-16-4-2-3-5-17(16)21-13-22-18/h2-5,13-15,20H,6-12H2,1H3
InChIKeyQUFYZHICUGVNQW-UHFFFAOYSA-N
XLogP2.03
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
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4-(3-chloropiperidin-1-yl)quinazoline
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tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
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4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate?
The IUPAC name of piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate (CID 143957233) is piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate?
The canonical SMILES for piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate is CN(C(=O)OC1CCNCC1)C1CCN(c2ncnc3ccccc23)C1.
What is the InChIKey of piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate?
The InChIKey is QUFYZHICUGVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23(19(25)26-15-6-9-20-10-7-15)14-8-11-24(12-14)18-16-4-2-3-5-17(16)21-13-22-18/h2-5,13-15,20H,6-12H2,1H3.
What are the key properties of piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate?
piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate has a molecular weight of 355.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 143957233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).