N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide

C20H27N5O — CID 59551743

IUPACN-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)CC1
InChIInChI=1S/C20H27N5O/c1-21-20(26)15-6-10-25(11-7-15)16-2-3-17-18(12-16)23-13-24-19(17)14-4-8-22-9-5-14/h2-3,12-15,22H,4-11H2,1H3,(H,21,26)
InChIKeyBOPYOIOPDGRYDU-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide

N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide (PubChem CID 59551743) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide
PubChem CID59551743
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)CC1
InChIInChI=1S/C20H27N5O/c1-21-20(26)15-6-10-25(11-7-15)16-2-3-17-18(12-16)23-13-24-19(17)14-4-8-22-9-5-14/h2-3,12-15,22H,4-11H2,1H3,(H,21,26)
InChIKeyBOPYOIOPDGRYDU-UHFFFAOYSA-N
XLogP2.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551712
4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69263218
prop-1-en-2-yl 4-[7-(azetidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate
CID 89011794
4-[7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770830
4-(azepan-4-yl)-7-methoxyquinazoline
CID 162748452
4-[7-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 58770677
4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770752
benzyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxylate
CID 172508951
N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine
CID 59551735
(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95204087
N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine
CID 59551670
prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate
CID 89011711

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide (CID 59551743) is N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)CC1.
What is the InChIKey of N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide?
The InChIKey is BOPYOIOPDGRYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-21-20(26)15-6-10-25(11-7-15)16-2-3-17-18(12-16)23-13-24-19(17)14-4-8-22-9-5-14/h2-3,12-15,22H,4-11H2,1H3,(H,21,26).
What are the key properties of N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide?
N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 59551743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).