(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C17H25N3O — CID 60959685

IUPAC(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H25N3O/c18-16-6-2-1-5-15(16)17(21)20-11-7-14(8-12-20)13-19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13,18H2
InChIKeySAFTZOPBGODCMG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.22
Rot. Bonds3

About (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 60959685) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID60959685
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H25N3O/c18-16-6-2-1-5-15(16)17(21)20-11-7-14(8-12-20)13-19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13,18H2
InChIKeySAFTZOPBGODCMG-UHFFFAOYSA-N
XLogP2.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.22
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

(2-aminophenyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947355
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-aminophenyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119946751
1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119945615
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60959683
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 60959685) is (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is Nc1ccccc1C(=O)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is SAFTZOPBGODCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16-6-2-1-5-15(16)17(21)20-11-7-14(8-12-20)13-19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13,18H2.
What are the key properties of (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60959685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).