[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane

C24H32ClN3O2 — CID 156874711

IUPAC[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane
SMILESCC.NC1CCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)c(Cl)c2)CC1
InChIInChI=1S/C22H26ClN3O2.C2H6/c23-20-14-18(25-10-8-17(24)9-11-25)6-7-19(20)22(27)26-12-13-28-21(15-26)16-4-2-1-3-5-16;1-2/h1-7,14,17,21H,8-13,15,24H2;1-2H3
InChIKeyVELVUVAKWUSQGI-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.51
Rot. Bonds3

About [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane

[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane (PubChem CID 156874711) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane.

Molecular Properties

Compound Name[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane
PubChem CID156874711
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane
SMILESCC.NC1CCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)c(Cl)c2)CC1
InChIInChI=1S/C22H26ClN3O2.C2H6/c23-20-14-18(25-10-8-17(24)9-11-25)6-7-19(20)22(27)26-12-13-28-21(15-26)16-4-2-1-3-5-16;1-2/h1-7,14,17,21H,8-13,15,24H2;1-2H3
InChIKeyVELVUVAKWUSQGI-UHFFFAOYSA-N
XLogP4.51
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone
CID 166781261
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
(2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 156874622
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894667
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane?
The IUPAC name of [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane (CID 156874711) is [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane.
What is the SMILES notation for [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane?
The canonical SMILES for [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane is CC.NC1CCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)c(Cl)c2)CC1.
What is the InChIKey of [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane?
The InChIKey is VELVUVAKWUSQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2.C2H6/c23-20-14-18(25-10-8-17(24)9-11-25)6-7-19(20)22(27)26-12-13-28-21(15-26)16-4-2-1-3-5-16;1-2/h1-7,14,17,21H,8-13,15,24H2;1-2H3.
What are the key properties of [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane?
[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane has a molecular weight of 429.99 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane is sourced from PubChem (CID 156874711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).