N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide

C25H31N3O2 — CID 53036163

IUPACN-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C25H31N3O2/c1-18(20-7-6-8-22(15-20)30-3)26-25(29)19-11-13-28(14-12-19)17-21-16-27(2)24-10-5-4-9-23(21)24/h4-10,15-16,18-19H,11-14,17H2,1-3H3,(H,26,29)
InChIKeyFDAMKRGSUBKNLP-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide

N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 53036163) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID53036163
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C25H31N3O2/c1-18(20-7-6-8-22(15-20)30-3)26-25(29)19-11-13-28(14-12-19)17-21-16-27(2)24-10-5-4-9-23(21)24/h4-10,15-16,18-19H,11-14,17H2,1-3H3,(H,26,29)
InChIKeyFDAMKRGSUBKNLP-UHFFFAOYSA-N
XLogP4.28
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036166
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 95056572
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 124824584
[1-[(5-chloro-1-methylindol-3-yl)methyl]piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53013307
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide (CID 53036163) is N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide is COc1cccc(C(C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FDAMKRGSUBKNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18(20-7-6-8-22(15-20)30-3)26-25(29)19-11-13-28(14-12-19)17-21-16-27(2)24-10-5-4-9-23(21)24/h4-10,15-16,18-19H,11-14,17H2,1-3H3,(H,26,29).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53036163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).