4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide

C21H23N3O2 — CID 95164710

IUPAC4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(23-26-15-16-6-2-1-3-7-16)24-12-10-17(11-13-24)20-14-18-8-4-5-9-19(18)22-20/h1-9,14,17,22H,10-13,15H2,(H,23,25)
InChIKeyFRBPAIQPMMWJDN-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.19
Rot. Bonds4

About 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide

4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide (PubChem CID 95164710) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
PubChem CID95164710
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(23-26-15-16-6-2-1-3-7-16)24-12-10-17(11-13-24)20-14-18-8-4-5-9-19(18)22-20/h1-9,14,17,22H,10-13,15H2,(H,23,25)
InChIKeyFRBPAIQPMMWJDN-UHFFFAOYSA-N
XLogP4.19
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
CID 136563655
3-hydroxy-N-phenylmethoxypiperidine-1-carboxamide
CID 110933496
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 51097129
3-[[4-(1H-indol-2-yl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
CID 166239289
4-(1H-indol-2-yl)-N-(2-propan-2-yloxy-4-pyridinyl)piperidine-1-carboxamide
CID 167956930
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide?
The IUPAC name of 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide (CID 95164710) is 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide?
The canonical SMILES for 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide is O=C(NOCc1ccccc1)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide?
The InChIKey is FRBPAIQPMMWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(23-26-15-16-6-2-1-3-7-16)24-12-10-17(11-13-24)20-14-18-8-4-5-9-19(18)22-20/h1-9,14,17,22H,10-13,15H2,(H,23,25).
What are the key properties of 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide?
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide is sourced from PubChem (CID 95164710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).