(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone

C16H24ClN3O — CID 61115199

IUPAC(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-19(4-2)13-7-9-20(10-8-13)16(21)14-11-12(17)5-6-15(14)18/h5-6,11,13H,3-4,7-10,18H2,1-2H3
InChIKeyYVPPDINOXAOHTL-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.87
Rot. Bonds4

About (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone

(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 61115199) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID61115199
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-19(4-2)13-7-9-20(10-8-13)16(21)14-11-12(17)5-6-15(14)18/h5-6,11,13H,3-4,7-10,18H2,1-2H3
InChIKeyYVPPDINOXAOHTL-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-methylpiperidin-1-yl)methanone
CID 16772124
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944
(3-amino-4-bromophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115958
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 61115199) is (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cc(Cl)ccc2N)CC1.
What is the InChIKey of (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is YVPPDINOXAOHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-19(4-2)13-7-9-20(10-8-13)16(21)14-11-12(17)5-6-15(14)18/h5-6,11,13H,3-4,7-10,18H2,1-2H3.
What are the key properties of (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
(2-amino-5-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 (2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 61115199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).