[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone

C25H37N3O — CID 151350310

IUPAC[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone
SMILESCCCCN1CCC(c2cn(N)c3ccc(C(=O)C4CCCCCC4)cc23)CC1
InChIInChI=1S/C25H37N3O/c1-2-3-14-27-15-12-19(13-16-27)23-18-28(26)24-11-10-21(17-22(23)24)25(29)20-8-6-4-5-7-9-20/h10-11,17-20H,2-9,12-16,26H2,1H3
InChIKeyOMIUQKIZEOCIML-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.49
Rot. Bonds6

About [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone

[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone (PubChem CID 151350310) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone.

Molecular Properties

Compound Name[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone
PubChem CID151350310
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone
SMILESCCCCN1CCC(c2cn(N)c3ccc(C(=O)C4CCCCCC4)cc23)CC1
InChIInChI=1S/C25H37N3O/c1-2-3-14-27-15-12-19(13-16-27)23-18-28(26)24-11-10-21(17-22(23)24)25(29)20-8-6-4-5-7-9-20/h10-11,17-20H,2-9,12-16,26H2,1H3
InChIKeyOMIUQKIZEOCIML-UHFFFAOYSA-N
XLogP5.49
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone
CID 67630514
3-(1-hexylpiperidin-4-yl)indol-1-amine
CID 23215958
[1-amino-3-(1-propan-2-ylpiperidin-4-yl)indol-5-yl]-(3-butoxyphenyl)methanone
CID 151265040
4-[1-amino-3-(1-methylpiperidin-4-yl)indole-5-carbonyl]benzonitrile
CID 67639449
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone
CID 67637123
[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone
CID 151518551
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(4-chlorophenyl)methanone;(E)-but-2-enedioic acid
CID 67638184
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 154264295
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone
CID 67639351
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(4-methoxyphenyl)methanone;(E)-but-2-enedioic acid
CID 67638305
6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299889
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
The IUPAC name of [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone (CID 151350310) is [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone.
What is the SMILES notation for [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
The canonical SMILES for [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone is CCCCN1CCC(c2cn(N)c3ccc(C(=O)C4CCCCCC4)cc23)CC1.
What is the InChIKey of [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
The InChIKey is OMIUQKIZEOCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-2-3-14-27-15-12-19(13-16-27)23-18-28(26)24-11-10-21(17-22(23)24)25(29)20-8-6-4-5-7-9-20/h10-11,17-20H,2-9,12-16,26H2,1H3.
What are the key properties of [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone has a molecular weight of 395.59 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone is sourced from PubChem (CID 151350310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).