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

C14H20ClN3O — CID 112576020

IUPAC(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cccc(N)c2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-17(2)10-5-4-8-18(9-10)14(19)11-6-3-7-12(16)13(11)15/h3,6-7,10H,4-5,8-9,16H2,1-2H3
InChIKeyPCOWYYWNNMECBN-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.09
Rot. Bonds2

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

(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 112576020) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID112576020
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cccc(N)c2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-17(2)10-5-4-8-18(9-10)14(19)11-6-3-7-12(16)13(11)15/h3,6-7,10H,4-5,8-9,16H2,1-2H3
InChIKeyPCOWYYWNNMECBN-UHFFFAOYSA-N
XLogP2.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.09
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

(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
(3-bromo-2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 113362425
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 102705708
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
(3-amino-2-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 115930560
(3-amino-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 112575733
(3-amino-2-chlorophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966919

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 112576020) is (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2cccc(N)c2Cl)C1.
What is the InChIKey of (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is PCOWYYWNNMECBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17(2)10-5-4-8-18(9-10)14(19)11-6-3-7-12(16)13(11)15/h3,6-7,10H,4-5,8-9,16H2,1-2H3.
What are the key properties of (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 281.79 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 112576020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).