[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone

C14H20N2O — CID 143704311

IUPAC[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C14H20N2O/c1-11-8-9-16(10-11)14(17)12-4-6-13(7-5-12)15(2)3/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyHASPCZXVWRVWND-NSHDSACASA-N
MW232.33 g/mol
LogP2.23
Rot. Bonds2

About [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 143704311) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
PubChem CID143704311
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C14H20N2O/c1-11-8-9-16(10-11)14(17)12-4-6-13(7-5-12)15(2)3/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyHASPCZXVWRVWND-NSHDSACASA-N
XLogP2.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
[4-(dimethylamino)phenyl]-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 99948127
[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662268
[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 61222522
[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
CID 81211880

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone (CID 143704311) is [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone is C[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2)C1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is HASPCZXVWRVWND-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-8-9-16(10-11)14(17)12-4-6-13(7-5-12)15(2)3/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1.
What are the key properties of [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 232.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 143704311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).