1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C20H27N5O2 — CID 135448868

IUPAC1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O2/c21-19(27)20(25-10-4-1-5-11-25)8-12-24(13-9-20)14-17-22-16-7-3-2-6-15(16)18(26)23-17/h2-3,6-7H,1,4-5,8-14H2,(H2,21,27)(H,22,23,26)
InChIKeyNPZQDGNVSLDJQP-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.23
Rot. Bonds4

About 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 135448868) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID135448868
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H27N5O2/c21-19(27)20(25-10-4-1-5-11-25)8-12-24(13-9-20)14-17-22-16-7-3-2-6-15(16)18(26)23-17/h2-3,6-7H,1,4-5,8-14H2,(H2,21,27)(H,22,23,26)
InChIKeyNPZQDGNVSLDJQP-UHFFFAOYSA-N
XLogP1.23
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 135448868) is 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is NPZQDGNVSLDJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-19(27)20(25-10-4-1-5-11-25)8-12-24(13-9-20)14-17-22-16-7-3-2-6-15(16)18(26)23-17/h2-3,6-7H,1,4-5,8-14H2,(H2,21,27)(H,22,23,26).
What are the key properties of 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 135448868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).