N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide

C31H44N4O — CID 54404500

IUPACN-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide
SMILESCCCCN1CCC(c2c[nH]c3ccc(N(CCC)C(=O)c4ccccc4N(CC)CC)cc23)CC1
InChIInChI=1S/C31H44N4O/c1-5-9-19-33-20-16-24(17-21-33)28-23-32-29-15-14-25(22-27(28)29)35(18-6-2)31(36)26-12-10-11-13-30(26)34(7-3)8-4/h10-15,22-24,32H,5-9,16-21H2,1-4H3
InChIKeyVPSFHTATHNUMTP-UHFFFAOYSA-N
MW488.72 g/mol
LogP7.05
Rot. Bonds11

About N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide

N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide (PubChem CID 54404500) has the molecular formula C31H44N4O and a molecular weight of 488.72 g/mol. Its IUPAC name is N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide.

Molecular Properties

Compound NameN-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide
PubChem CID54404500
Molecular FormulaC31H44N4O
Molecular Weight488.72 g/mol
Exact Mass488.35
IUPAC NameN-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide
SMILESCCCCN1CCC(c2c[nH]c3ccc(N(CCC)C(=O)c4ccccc4N(CC)CC)cc23)CC1
InChIInChI=1S/C31H44N4O/c1-5-9-19-33-20-16-24(17-21-33)28-23-32-29-15-14-25(22-27(28)29)35(18-6-2)31(36)26-12-10-11-13-30(26)34(7-3)8-4/h10-15,22-24,32H,5-9,16-21H2,1-4H3
InChIKeyVPSFHTATHNUMTP-UHFFFAOYSA-N
XLogP7.05
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
CID 57299870
[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;chloro benzoate
CID 162540763
1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
CID 54233001
N-ethyl-2-hydroxy-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]propanamide
CID 156552189
1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 57267477
N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
CID 18969225
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174406878
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
N-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70339130

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide?
The IUPAC name of N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide (CID 54404500) is N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide.
What is the SMILES notation for N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide?
The canonical SMILES for N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide is CCCCN1CCC(c2c[nH]c3ccc(N(CCC)C(=O)c4ccccc4N(CC)CC)cc23)CC1.
What is the InChIKey of N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide?
The InChIKey is VPSFHTATHNUMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O/c1-5-9-19-33-20-16-24(17-21-33)28-23-32-29-15-14-25(22-27(28)29)35(18-6-2)31(36)26-12-10-11-13-30(26)34(7-3)8-4/h10-15,22-24,32H,5-9,16-21H2,1-4H3.
What are the key properties of N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide?
N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide has a molecular weight of 488.72 g/mol, XLogP of 7.05, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide is sourced from PubChem (CID 54404500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).