N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide

C18H23N5O2 — CID 110436261

IUPACN-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
SMILESO=CNCCCNC(=O)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H23N5O2/c24-13-19-8-4-9-20-18(25)14-5-3-10-23(11-14)17-15-6-1-2-7-16(15)21-12-22-17/h1-2,6-7,12-14H,3-5,8-11H2,(H,19,24)(H,20,25)
InChIKeyCNUKFDCSTSAZPC-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.10
Rot. Bonds7

About N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide

N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide (PubChem CID 110436261) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
PubChem CID110436261
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
SMILESO=CNCCCNC(=O)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H23N5O2/c24-13-19-8-4-9-20-18(25)14-5-3-10-23(11-14)17-15-6-1-2-7-16(15)21-12-22-17/h1-2,6-7,12-14H,3-5,8-11H2,(H,19,24)(H,20,25)
InChIKeyCNUKFDCSTSAZPC-UHFFFAOYSA-N
XLogP1.10
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326896
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 47807499
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
4-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119352886
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 50835015
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide (CID 110436261) is N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide is O=CNCCCNC(=O)C1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide?
The InChIKey is CNUKFDCSTSAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-13-19-8-4-9-20-18(25)14-5-3-10-23(11-14)17-15-6-1-2-7-16(15)21-12-22-17/h1-2,6-7,12-14H,3-5,8-11H2,(H,19,24)(H,20,25).
What are the key properties of N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide?
N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110436261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).