[1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone

C27H35N3O2 — CID 151265040

IUPAC[1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone
SMILESCCCCOc1cccc(C(=O)c2ccc3c(c2)c(C2CCN(C(C)C)CC2)cn3N)c1
InChIInChI=1S/C27H35N3O2/c1-4-5-15-32-23-8-6-7-21(16-23)27(31)22-9-10-26-24(17-22)25(18-30(26)28)20-11-13-29(14-12-20)19(2)3/h6-10,16-20H,4-5,11-15,28H2,1-3H3
InChIKeyNVDSXPJDYQQXRU-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.35
Rot. Bonds8

About [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone

[1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone (PubChem CID 151265040) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone.

Molecular Properties

Compound Name[1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone
PubChem CID151265040
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name[1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone
SMILESCCCCOc1cccc(C(=O)c2ccc3c(c2)c(C2CCN(C(C)C)CC2)cn3N)c1
InChIInChI=1S/C27H35N3O2/c1-4-5-15-32-23-8-6-7-21(16-23)27(31)22-9-10-26-24(17-22)25(18-30(26)28)20-11-13-29(14-12-20)19(2)3/h6-10,16-20H,4-5,11-15,28H2,1-3H3
InChIKeyNVDSXPJDYQQXRU-UHFFFAOYSA-N
XLogP5.35
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)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

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 154264295
[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(3-heptoxyphenyl)methanone
CID 151304842
4-[1-amino-3-(1-methylpiperidin-4-yl)indole-5-carbonyl]benzonitrile
CID 67639449
[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone
CID 151518551
3-(1-hexylpiperidin-4-yl)indol-1-amine
CID 23215958
3-(5-butoxypentoxy)benzamide
CID 71713772
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-[6-(4-butoxybenzoyl)-9-ethylcarbazol-3-yl]heptan-1-one
CID 156846255
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
3-(3-heptoxypropoxy)benzoic acid
CID 63530132
(4-chlorophenyl)-[3-[[1-[(2S)-2-hydroxyhexyl]piperidin-4-yl]methoxy]phenyl]methanone
CID 57412924
2-bromo-1-(3-butoxyphenyl)ethanone
CID 22121403

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone?
The IUPAC name of [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone (CID 151265040) is [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone.
What is the SMILES notation for [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone?
The canonical SMILES for [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone is CCCCOc1cccc(C(=O)c2ccc3c(c2)c(C2CCN(C(C)C)CC2)cn3N)c1.
What is the InChIKey of [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone?
The InChIKey is NVDSXPJDYQQXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-4-5-15-32-23-8-6-7-21(16-23)27(31)22-9-10-26-24(17-22)25(18-30(26)28)20-11-13-29(14-12-20)19(2)3/h6-10,16-20H,4-5,11-15,28H2,1-3H3.
What are the key properties of [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone?
[1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone has a molecular weight of 433.60 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone is sourced from PubChem (CID 151265040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).