N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide

C21H28N4O3 — CID 26279594

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)N(C)C[C@@H]3COCCO3)CC2)nc2ccccc12
InChIInChI=1S/C21H28N4O3/c1-15-18-5-3-4-6-19(18)23-21(22-15)25-9-7-16(8-10-25)20(26)24(2)13-17-14-27-11-12-28-17/h3-6,16-17H,7-14H2,1-2H3/t17-/m1/s1
InChIKeyIXERZTNMBTWECT-QGZVFWFLSA-N
MW384.48 g/mol
LogP2.03
Rot. Bonds4

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 26279594) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide
PubChem CID26279594
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)N(C)C[C@@H]3COCCO3)CC2)nc2ccccc12
InChIInChI=1S/C21H28N4O3/c1-15-18-5-3-4-6-19(18)23-21(22-15)25-9-7-16(8-10-25)20(26)24(2)13-17-14-27-11-12-28-17/h3-6,16-17H,7-14H2,1-2H3/t17-/m1/s1
InChIKeyIXERZTNMBTWECT-QGZVFWFLSA-N
XLogP2.03
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide (CID 26279594) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)N(C)C[C@@H]3COCCO3)CC2)nc2ccccc12.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is IXERZTNMBTWECT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-18-5-3-4-6-19(18)23-21(22-15)25-9-7-16(8-10-25)20(26)24(2)13-17-14-27-11-12-28-17/h3-6,16-17H,7-14H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26279594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).