(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone

C16H24ClN3O — CID 115930393

IUPAC(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-19(4-2)12-8-10-20(11-9-12)16(21)13-6-5-7-14(18)15(13)17/h5-7,12H,3-4,8-11,18H2,1-2H3
InChIKeyVKDLEIBDSYBVPX-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.87
Rot. Bonds4

About (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone

(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 115930393) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID115930393
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-19(4-2)12-8-10-20(11-9-12)16(21)13-6-5-7-14(18)15(13)17/h5-7,12H,3-4,8-11,18H2,1-2H3
InChIKeyVKDLEIBDSYBVPX-UHFFFAOYSA-N
XLogP2.87
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.87
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-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115199
(3-amino-2-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 115930560
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 112576020
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
(3-amino-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 112575733
(3-amino-4-bromophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115958

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 115930393) is (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cccc(N)c2Cl)CC1.
What is the InChIKey of (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is VKDLEIBDSYBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-19(4-2)12-8-10-20(11-9-12)16(21)13-6-5-7-14(18)15(13)17/h5-7,12H,3-4,8-11,18H2,1-2H3.
What are the key properties of (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 309.84 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115930393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).