3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide

C17H23N3O — CID 106995348

IUPAC3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)CCc2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C17H23N3O/c1-12-10-14(8-9-18-12)20-17(21)7-6-13-11-19-16-5-3-2-4-15(13)16/h2-5,11-12,14,18-19H,6-10H2,1H3,(H,20,21)
InChIKeyBTVIWJWDGBBDPM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.36
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide

3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 106995348) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID106995348
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)CCc2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C17H23N3O/c1-12-10-14(8-9-18-12)20-17(21)7-6-13-11-19-16-5-3-2-4-15(13)16/h2-5,11-12,14,18-19H,6-10H2,1H3,(H,20,21)
InChIKeyBTVIWJWDGBBDPM-UHFFFAOYSA-N
XLogP2.36
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
N-(3,4-dimethylcyclohexyl)-2-(1H-indol-3-yl)acetamide
CID 64742201
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
N-(2-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120602247
2-(1H-indol-3-yl)-N-(3-methoxycyclobutyl)acetamide
CID 104578428
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide (CID 106995348) is 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide is CC1CC(NC(=O)CCc2c[nH]c3ccccc23)CCN1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is BTVIWJWDGBBDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-14(8-9-18-12)20-17(21)7-6-13-11-19-16-5-3-2-4-15(13)16/h2-5,11-12,14,18-19H,6-10H2,1H3,(H,20,21).
What are the key properties of 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide?
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 106995348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).