1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide

C18H23N3O2 — CID 30888669

IUPAC1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-19-18(23)13-8-10-21(11-9-13)17(22)7-6-14-12-20-16-5-3-2-4-15(14)16/h2-5,12-13,20H,6-11H2,1H3,(H,19,23)
InChIKeyQNCITMCVJBFUCD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.09
Rot. Bonds4

About 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide

1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 30888669) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID30888669
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-19-18(23)13-8-10-21(11-9-13)17(22)7-6-14-12-20-16-5-3-2-4-15(14)16/h2-5,12-13,20H,6-11H2,1H3,(H,19,23)
InChIKeyQNCITMCVJBFUCD-UHFFFAOYSA-N
XLogP2.09
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 51332191
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-[2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 55520175

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide (CID 30888669) is 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QNCITMCVJBFUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-19-18(23)13-8-10-21(11-9-13)17(22)7-6-14-12-20-16-5-3-2-4-15(14)16/h2-5,12-13,20H,6-11H2,1H3,(H,19,23).
What are the key properties of 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide?
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 30888669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).