[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone

C19H21FN4O — CID 71836287

IUPAC[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C19H21FN4O/c20-14-4-1-3-13(11-14)19(25)24-9-7-15(8-10-24)23-18-16-5-2-6-17(16)21-12-22-18/h1,3-4,11-12,15H,2,5-10H2,(H,21,22,23)
InChIKeyNNSGQXMVYCMXLU-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.82
Rot. Bonds3

About [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone

[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 71836287) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID71836287
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C19H21FN4O/c20-14-4-1-3-13(11-14)19(25)24-9-7-15(8-10-24)23-18-16-5-2-6-17(16)21-12-22-18/h1,3-4,11-12,15H,2,5-10H2,(H,21,22,23)
InChIKeyNNSGQXMVYCMXLU-UHFFFAOYSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone (CID 71836287) is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC(Nc2ncnc3c2CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is NNSGQXMVYCMXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-14-4-1-3-13(11-14)19(25)24-9-7-15(8-10-24)23-18-16-5-2-6-17(16)21-12-22-18/h1,3-4,11-12,15H,2,5-10H2,(H,21,22,23).
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 340.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 71836287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).