(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone

C19H26F2N2O2 — CID 95876102

IUPAC(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
SMILESCOc1c(F)ccc(C(=O)N2CCC([C@@H](C)N3CCCC3)CC2)c1F
InChIInChI=1S/C19H26F2N2O2/c1-13(22-9-3-4-10-22)14-7-11-23(12-8-14)19(24)15-5-6-16(20)18(25-2)17(15)21/h5-6,13-14H,3-4,7-12H2,1-2H3/t13-/m1/s1
InChIKeyRSYUUWISRUGKSG-CYBMUJFWSA-N
MW352.43 g/mol
LogP3.31
Rot. Bonds4

About (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone

(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone (PubChem CID 95876102) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
PubChem CID95876102
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
SMILESCOc1c(F)ccc(C(=O)N2CCC([C@@H](C)N3CCCC3)CC2)c1F
InChIInChI=1S/C19H26F2N2O2/c1-13(22-9-3-4-10-22)14-7-11-23(12-8-14)19(24)15-5-6-16(20)18(25-2)17(15)21/h5-6,13-14H,3-4,7-12H2,1-2H3/t13-/m1/s1
InChIKeyRSYUUWISRUGKSG-CYBMUJFWSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluoro-3-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56894129
(4aS,8aR)-6-(2,4-difluoro-3-methoxybenzoyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 56902030
[4-(1-cyclopropylethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110708758
(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699456
(3R)-8-(2,4-difluoro-3-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95722543
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 56904274
N-propan-2-yl-4-(2,3,4-trifluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811670
2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
CID 108566670
1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
CID 95873949
(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
CID 56758942
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone (CID 95876102) is (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone is COc1c(F)ccc(C(=O)N2CCC([C@@H](C)N3CCCC3)CC2)c1F.
What is the InChIKey of (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
The InChIKey is RSYUUWISRUGKSG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-13(22-9-3-4-10-22)14-7-11-23(12-8-14)19(24)15-5-6-16(20)18(25-2)17(15)21/h5-6,13-14H,3-4,7-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95876102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).