4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide

C29H37N5O2 — CID 70645287

IUPAC4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4ccc(CN5CCCCC5)cc34)CC2)cc1
InChIInChI=1S/C29H37N5O2/c1-21(2)36-25-9-7-24(8-10-25)32-29(35)34-16-12-23(13-17-34)28-26-18-22(6-11-27(26)30-20-31-28)19-33-14-4-3-5-15-33/h6-11,18,20-21,23H,3-5,12-17,19H2,1-2H3,(H,32,35)
InChIKeyRMKVGIHBATUGOU-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.81
Rot. Bonds6

About 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide

4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide (PubChem CID 70645287) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
PubChem CID70645287
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4ccc(CN5CCCCC5)cc34)CC2)cc1
InChIInChI=1S/C29H37N5O2/c1-21(2)36-25-9-7-24(8-10-25)32-29(35)34-16-12-23(13-17-34)28-26-18-22(6-11-27(26)30-20-31-28)19-33-14-4-3-5-15-33/h6-11,18,20-21,23H,3-5,12-17,19H2,1-2H3,(H,32,35)
InChIKeyRMKVGIHBATUGOU-UHFFFAOYSA-N
XLogP5.81
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 58770827
4-(7-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 58770635
ethane;4-[7-(3-methylsulfanyloxypropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 143371591
4-[7-[3-(4-methylpiperazin-1-yl)propylamino]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 58770684
4-[7-(3-amino-3-methylsulfonylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 174565061
methanol;4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 143371093
N-(4-ethoxyphenyl)-4-[6-[3-(2-oxopyrrolidin-1-yl)propoxy]quinazolin-4-yl]piperidine-1-carboxamide
CID 143371002
4-[6-(2-methoxyethoxy)-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10210632
4-(6-ethyl-7-methylquinazolin-4-yl)-N-[4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 143371035
4-(1,3-benzodioxol-5-ylmethyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 108989994
N-(4-morpholin-4-ylphenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 143371667
N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide
CID 58770754

Frequently Asked Questions

What is the IUPAC name of 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide (CID 70645287) is 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide is CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4ccc(CN5CCCCC5)cc34)CC2)cc1.
What is the InChIKey of 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The InChIKey is RMKVGIHBATUGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-21(2)36-25-9-7-24(8-10-25)32-29(35)34-16-12-23(13-17-34)28-26-18-22(6-11-27(26)30-20-31-28)19-33-14-4-3-5-15-33/h6-11,18,20-21,23H,3-5,12-17,19H2,1-2H3,(H,32,35).
What are the key properties of 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?
4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 70645287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).