N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide

C24H27N3O2 — CID 157449429

IUPACN-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide
SMILESO=C(CCCC1CCNCC1)NC1=Nc2ccc(C(=O)c3ccccc3)cc2C1
InChIInChI=1S/C24H27N3O2/c28-23(8-4-5-17-11-13-25-14-12-17)27-22-16-20-15-19(9-10-21(20)26-22)24(29)18-6-2-1-3-7-18/h1-3,6-7,9-10,15,17,25H,4-5,8,11-14,16H2,(H,26,27,28)
InChIKeyBSPXLBPITPXRES-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.79
Rot. Bonds6

About N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide

N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide (PubChem CID 157449429) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide
PubChem CID157449429
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide
SMILESO=C(CCCC1CCNCC1)NC1=Nc2ccc(C(=O)c3ccccc3)cc2C1
InChIInChI=1S/C24H27N3O2/c28-23(8-4-5-17-11-13-25-14-12-17)27-22-16-20-15-19(9-10-21(20)26-22)24(29)18-6-2-1-3-7-18/h1-3,6-7,9-10,15,17,25H,4-5,8,11-14,16H2,(H,26,27,28)
InChIKeyBSPXLBPITPXRES-UHFFFAOYSA-N
XLogP3.79
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate
CID 147440209
1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(2-piperidin-4-ylethyl)urea
CID 66552583
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
CID 142036974
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
[4-amino-3-[[(3S)-pyrrolidin-3-yl]methylamino]phenyl]-phenylmethanone
CID 66552957
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
2-(4-piperidin-4-ylbutanoylamino)cyclopropane-1-carboxylic acid
CID 18986131
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide?
The IUPAC name of N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide (CID 157449429) is N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide?
The canonical SMILES for N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide is O=C(CCCC1CCNCC1)NC1=Nc2ccc(C(=O)c3ccccc3)cc2C1.
What is the InChIKey of N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide?
The InChIKey is BSPXLBPITPXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-23(8-4-5-17-11-13-25-14-12-17)27-22-16-20-15-19(9-10-21(20)26-22)24(29)18-6-2-1-3-7-18/h1-3,6-7,9-10,15,17,25H,4-5,8,11-14,16H2,(H,26,27,28).
What are the key properties of N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide?
N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide has a molecular weight of 389.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-3H-indol-2-yl)-4-piperidin-4-ylbutanamide is sourced from PubChem (CID 157449429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).