1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

C18H22FN5O — CID 133422015

IUPAC1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C18H22FN5O/c19-12-3-4-15-14(10-12)18(22-11-21-15)23-8-5-13(6-9-23)24-7-1-2-16(24)17(20)25/h3-4,10-11,13,16H,1-2,5-9H2,(H2,20,25)
InChIKeyQDYMBYJUNLFDFR-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.69
Rot. Bonds3

About 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 133422015) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID133422015
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C18H22FN5O/c19-12-3-4-15-14(10-12)18(22-11-21-15)23-8-5-13(6-9-23)24-7-1-2-16(24)17(20)25/h3-4,10-11,13,16H,1-2,5-9H2,(H2,20,25)
InChIKeyQDYMBYJUNLFDFR-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421983
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139002167
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
3-[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383491
5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
CID 133429304
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 133422015) is 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is QDYMBYJUNLFDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-12-3-4-15-14(10-12)18(22-11-21-15)23-8-5-13(6-9-23)24-7-1-2-16(24)17(20)25/h3-4,10-11,13,16H,1-2,5-9H2,(H2,20,25).
What are the key properties of 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 133422015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).