N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide

C21H29N3O3S — CID 52523504

IUPACN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1
InChIInChI=1S/C21H29N3O3S/c25-21(10-6-7-16-13-22-18-9-3-2-8-17(16)18)23-19-14-28(26,27)15-20(19)24-11-4-1-5-12-24/h2-3,8-9,13,19-20,22H,1,4-7,10-12,14-15H2,(H,23,25)/t19-,20+/m1/s1
InChIKeyGZPQSGRWMKCKEM-UXHICEINSA-N
MW403.55 g/mol
LogP2.26
Rot. Bonds6

About N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide

N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide (PubChem CID 52523504) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide
PubChem CID52523504
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1
InChIInChI=1S/C21H29N3O3S/c25-21(10-6-7-16-13-22-18-9-3-2-8-17(16)18)23-19-14-28(26,27)15-20(19)24-11-4-1-5-12-24/h2-3,8-9,13,19-20,22H,1,4-7,10-12,14-15H2,(H,23,25)/t19-,20+/m1/s1
InChIKeyGZPQSGRWMKCKEM-UXHICEINSA-N
XLogP2.26
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide with MolForge

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Related Compounds

N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide (CID 52523504) is N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1.
What is the InChIKey of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is GZPQSGRWMKCKEM-UXHICEINSA-N. The full InChI is InChI=1S/C21H29N3O3S/c25-21(10-6-7-16-13-22-18-9-3-2-8-17(16)18)23-19-14-28(26,27)15-20(19)24-11-4-1-5-12-24/h2-3,8-9,13,19-20,22H,1,4-7,10-12,14-15H2,(H,23,25)/t19-,20+/m1/s1.
What are the key properties of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide?
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 403.55 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 52523504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).