N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide

C18H25N3O2 — CID 18582430

IUPACN-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C18H25N3O2/c1-14-7-9-20(10-8-14)18(22)19-16-13-21(11-12-23-2)17-6-4-3-5-15(16)17/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)
InChIKeyBYDKYSUPBFUVNN-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.55
Rot. Bonds4

About N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide

N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 18582430) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
PubChem CID18582430
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C18H25N3O2/c1-14-7-9-20(10-8-14)18(22)19-16-13-21(11-12-23-2)17-6-4-3-5-15(16)17/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)
InChIKeyBYDKYSUPBFUVNN-UHFFFAOYSA-N
XLogP3.55
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 40519785
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 18582437
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
CID 56819723
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide (CID 18582430) is N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide is COCCn1cc(NC(=O)N2CCC(C)CC2)c2ccccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is BYDKYSUPBFUVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-7-9-20(10-8-14)18(22)19-16-13-21(11-12-23-2)17-6-4-3-5-15(16)17/h3-6,13-14H,7-12H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide?
N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 18582430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).