(2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one

C19H28ClN3O2 — CID 2514517

IUPAC(2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Nc2cc(Cl)ccc2N2CCOCC2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14-5-7-23(8-6-14)19(24)15(2)21-17-13-16(20)3-4-18(17)22-9-11-25-12-10-22/h3-4,13-15,21H,5-12H2,1-2H3/t15-/m1/s1
InChIKeyUKCIDEDHTKTKPF-OAHLLOKOSA-N
MW365.91 g/mol
LogP3.24
Rot. Bonds4

About (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one

(2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 2514517) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID2514517
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name(2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Nc2cc(Cl)ccc2N2CCOCC2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14-5-7-23(8-6-14)19(24)15(2)21-17-13-16(20)3-4-18(17)22-9-11-25-12-10-22/h3-4,13-15,21H,5-12H2,1-2H3/t15-/m1/s1
InChIKeyUKCIDEDHTKTKPF-OAHLLOKOSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 3961026
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2,5-dichloro-N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 126392685
2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 2514517) is (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)[C@@H](C)Nc2cc(Cl)ccc2N2CCOCC2)CC1.
What is the InChIKey of (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is UKCIDEDHTKTKPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14-5-7-23(8-6-14)19(24)15(2)21-17-13-16(20)3-4-18(17)22-9-11-25-12-10-22/h3-4,13-15,21H,5-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
(2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 365.91 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-morpholin-4-ylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 2514517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).