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

C16H22ClN3O — CID 61140481

IUPAC(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C16H22ClN3O/c17-15-4-3-12(18)11-14(15)16(21)20-9-5-13(6-10-20)19-7-1-2-8-19/h3-4,11,13H,1-2,5-10,18H2
InChIKeyWFOGGPRSFYCUSP-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.62
Rot. Bonds2

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

(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 61140481) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID61140481
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C16H22ClN3O/c17-15-4-3-12(18)11-14(15)16(21)20-9-5-13(6-10-20)19-7-1-2-8-19/h3-4,11,13H,1-2,5-10,18H2
InChIKeyWFOGGPRSFYCUSP-UHFFFAOYSA-N
XLogP2.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.62
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

(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887171
(5-amino-2,3-dichlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107185109
(5-amino-2-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168605
(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 20974074
(2-chloro-5-sulfanylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107029368
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 61140481) is (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Nc1ccc(Cl)c(C(=O)N2CCC(N3CCCC3)CC2)c1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is WFOGGPRSFYCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-15-4-3-12(18)11-14(15)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 (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 307.82 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 61140481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).