(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone

C22H30N2O — CID 110498899

IUPAC(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone
SMILESC=CCn1c(C(=O)N2CCCCC2C)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C22H30N2O/c1-6-12-24-20-11-10-18(15(2)3)14-19(20)17(5)21(24)22(25)23-13-8-7-9-16(23)4/h6,10-11,14-16H,1,7-9,12-13H2,2-5H3
InChIKeyDTZCNUYUWHIPLB-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.27
Rot. Bonds4

About (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone

(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone (PubChem CID 110498899) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone
PubChem CID110498899
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone
SMILESC=CCn1c(C(=O)N2CCCCC2C)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C22H30N2O/c1-6-12-24-20-11-10-18(15(2)3)14-19(20)17(5)21(24)22(25)23-13-8-7-9-16(23)4/h6,10-11,14-16H,1,7-9,12-13H2,2-5H3
InChIKeyDTZCNUYUWHIPLB-UHFFFAOYSA-N
XLogP5.27
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-hydroxyethyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498884
(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 110498748
3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoic acid
CID 110498942
3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)-propylamino]propanoic acid
CID 110498943
N-[4-(acetylsulfamoyl)phenyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501887
ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate
CID 110498940
N-(9,10-dioxoanthracen-1-yl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501940
methyl 3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]thiophene-2-carboxylate
CID 110502035
3-methyl-N-(3-nitrophenyl)-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501964
(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110498961
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55319632
(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110499037

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone (CID 110498899) is (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone is C=CCn1c(C(=O)N2CCCCC2C)c(C)c2cc(C(C)C)ccc21.
What is the InChIKey of (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone?
The InChIKey is DTZCNUYUWHIPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-6-12-24-20-11-10-18(15(2)3)14-19(20)17(5)21(24)22(25)23-13-8-7-9-16(23)4/h6,10-11,14-16H,1,7-9,12-13H2,2-5H3.
What are the key properties of (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone?
(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone has a molecular weight of 338.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone is sourced from PubChem (CID 110498899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).