(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one

C19H24N2O3 — CID 95148539

IUPAC(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(O[C@H](C)C(=O)N2CCC(n3cccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3/c1-15(24-18-7-5-17(23-2)6-8-18)19(22)21-13-9-16(10-14-21)20-11-3-4-12-20/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyWEXNGHAKZKRQEI-OAHLLOKOSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds5

About (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one

(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 95148539) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
PubChem CID95148539
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(O[C@H](C)C(=O)N2CCC(n3cccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3/c1-15(24-18-7-5-17(23-2)6-8-18)19(22)21-13-9-16(10-14-21)20-11-3-4-12-20/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyWEXNGHAKZKRQEI-OAHLLOKOSA-N
XLogP3.13
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 55130764
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
CID 97110031
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
4-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperazine-1-carbaldehyde
CID 925146
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one (CID 95148539) is (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one is COc1ccc(O[C@H](C)C(=O)N2CCC(n3cccc3)CC2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is WEXNGHAKZKRQEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(24-18-7-5-17(23-2)6-8-18)19(22)21-13-9-16(10-14-21)20-11-3-4-12-20/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one?
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 328.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 95148539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).