N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide

C20H29N3O2 — CID 72928968

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCCN(C(C)C)C3)c2c1
InChIInChI=1S/C20H29N3O2/c1-14(2)23-10-4-5-16(13-23)20(24)21-9-8-15-12-22-19-7-6-17(25-3)11-18(15)19/h6-7,11-12,14,16,22H,4-5,8-10,13H2,1-3H3,(H,21,24)
InChIKeyYHDFMEMEAUUPNU-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 72928968) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID72928968
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCCN(C(C)C)C3)c2c1
InChIInChI=1S/C20H29N3O2/c1-14(2)23-10-4-5-16(13-23)20(24)21-9-8-15-12-22-19-7-6-17(25-3)11-18(15)19/h6-7,11-12,14,16,22H,4-5,8-10,13H2,1-3H3,(H,21,24)
InChIKeyYHDFMEMEAUUPNU-UHFFFAOYSA-N
XLogP2.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 71706139
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96556893
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53009996
(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105209
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 91925467
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 72928968) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3CCCN(C(C)C)C3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is YHDFMEMEAUUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)23-10-4-5-16(13-23)20(24)21-9-8-15-12-22-19-7-6-17(25-3)11-18(15)19/h6-7,11-12,14,16,22H,4-5,8-10,13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 72928968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).