(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H22FN3O — CID 61042349

IUPAC(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ccc(F)cc1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H22FN3O/c17-12-3-4-15(18)14(11-12)16(21)20-9-5-13(6-10-20)19-7-1-2-8-19/h3-4,11,13H,1-2,5-10,18H2
InChIKeyDSCRXFRMTNCUKM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.11
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 61042349) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID61042349
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ccc(F)cc1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H22FN3O/c17-12-3-4-15(18)14(11-12)16(21)20-9-5-13(6-10-20)19-7-1-2-8-19/h3-4,11,13H,1-2,5-10,18H2
InChIKeyDSCRXFRMTNCUKM-UHFFFAOYSA-N
XLogP2.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 79614807
(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62198513
(2-amino-5-fluorophenyl)-(1,4-diazepan-1-yl)methanone
CID 43535352
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(2-amino-5-fluorophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905879
(5-amino-2-bromo-4-fluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168386

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 61042349) is (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Nc1ccc(F)cc1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is DSCRXFRMTNCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-12-3-4-15(18)14(11-12)16(21)20-9-5-13(6-10-20)19-7-1-2-8-19/h3-4,11,13H,1-2,5-10,18H2.
What are the key properties of (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 291.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 61042349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).