4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide

C19H27N3O — CID 134001798

IUPAC4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H27N3O/c1-3-15(4-2)21-19(23)22-11-9-14(10-12-22)17-13-20-18-8-6-5-7-16(17)18/h5-8,13-15,20H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyFBBBJEWXQHWARK-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.25
Rot. Bonds4

About 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide

4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide (PubChem CID 134001798) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
PubChem CID134001798
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H27N3O/c1-3-15(4-2)21-19(23)22-11-9-14(10-12-22)17-13-20-18-8-6-5-7-16(17)18/h5-8,13-15,20H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyFBBBJEWXQHWARK-UHFFFAOYSA-N
XLogP4.25
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
CID 24612421
4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 134042470
2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 58617703
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 24599123
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
CID 18391293
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467
benzyl N-[(2S)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55941483

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide (CID 134001798) is 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide is CCC(CC)NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide?
The InChIKey is FBBBJEWXQHWARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-15(4-2)21-19(23)22-11-9-14(10-12-22)17-13-20-18-8-6-5-7-16(17)18/h5-8,13-15,20H,3-4,9-12H2,1-2H3,(H,21,23).
What are the key properties of 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide?
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 134001798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).