[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C15H21N5O2 — CID 99841425

IUPAC[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(C)c1noc([C@H]2CCCN(C(=O)c3cccn3C)C2)n1
InChIInChI=1S/C15H21N5O2/c1-18(2)15-16-13(22-17-15)11-6-4-9-20(10-11)14(21)12-7-5-8-19(12)3/h5,7-8,11H,4,6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyAMPYDBUSEFJMPH-NSHDSACASA-N
MW303.37 g/mol
LogP1.49
Rot. Bonds3

About [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 99841425) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID99841425
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(C)c1noc([C@H]2CCCN(C(=O)c3cccn3C)C2)n1
InChIInChI=1S/C15H21N5O2/c1-18(2)15-16-13(22-17-15)11-6-4-9-20(10-11)14(21)12-7-5-8-19(12)3/h5,7-8,11H,4,6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyAMPYDBUSEFJMPH-NSHDSACASA-N
XLogP1.49
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 75481436
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 136539097
(4-fluorophenyl)-[3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 68930307
(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 15948111
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
(1-methylpyrrol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417627
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97392553
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97459916

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 99841425) is [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is CN(C)c1noc([C@H]2CCCN(C(=O)c3cccn3C)C2)n1.
What is the InChIKey of [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is AMPYDBUSEFJMPH-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-18(2)15-16-13(22-17-15)11-6-4-9-20(10-11)14(21)12-7-5-8-19(12)3/h5,7-8,11H,4,6,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 99841425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).