3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide

C21H28N4O2 — CID 91765115

IUPAC3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H28N4O2/c26-20(8-7-16-15-22-19-6-2-1-5-18(16)19)23-17-9-13-25(14-10-17)21(27)24-11-3-4-12-24/h1-2,5-6,15,17,22H,3-4,7-14H2,(H,23,26)
InChIKeyBKOQHMWWHBCKQG-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.90
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide

3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide (PubChem CID 91765115) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
PubChem CID91765115
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H28N4O2/c26-20(8-7-16-15-22-19-6-2-1-5-18(16)19)23-17-9-13-25(14-10-17)21(27)24-11-3-4-12-24/h1-2,5-6,15,17,22H,3-4,7-14H2,(H,23,26)
InChIKeyBKOQHMWWHBCKQG-UHFFFAOYSA-N
XLogP2.90
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 110819918
2-(1H-indol-3-yl)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819576
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820676
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide (CID 91765115) is 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide is O=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is BKOQHMWWHBCKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(8-7-16-15-22-19-6-2-1-5-18(16)19)23-17-9-13-25(14-10-17)21(27)24-11-3-4-12-24/h1-2,5-6,15,17,22H,3-4,7-14H2,(H,23,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91765115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).