5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide

C27H34N4O3 — CID 21133920

IUPAC5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCN(C)C)c2cc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H34N4O3/c1-30(2)14-11-28-26(32)23-18-29-24-17-25(34-3)22(16-21(23)24)27(33)31-12-9-20(10-13-31)15-19-7-5-4-6-8-19/h4-8,16-18,20,29H,9-15H2,1-3H3,(H,28,32)
InChIKeyKSYFKJZRRFYISM-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.56
Rot. Bonds8

About 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide

5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide (PubChem CID 21133920) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide
PubChem CID21133920
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCN(C)C)c2cc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H34N4O3/c1-30(2)14-11-28-26(32)23-18-29-24-17-25(34-3)22(16-21(23)24)27(33)31-12-9-20(10-13-31)15-19-7-5-4-6-8-19/h4-8,16-18,20,29H,9-15H2,1-3H3,(H,28,32)
InChIKeyKSYFKJZRRFYISM-UHFFFAOYSA-N
XLogP3.56
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 159646565
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938
1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethane-1,2-dione
CID 20763739
1-[6-methoxy-5-[4-[(4-phosphanylphenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 142871702
2-[5-(4-benzylpiperidine-1-carbonyl)-6-methyl-1H-indol-3-yl]-2-oxoacetic acid
CID 20626155
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione
CID 138530082
1-(4-benzylpiperidin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 56925383
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 54508259
(4-benzylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 9204523
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone
CID 109115841

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide (CID 21133920) is 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)NCCN(C)C)c2cc1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is KSYFKJZRRFYISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-30(2)14-11-28-26(32)23-18-29-24-17-25(34-3)22(16-21(23)24)27(33)31-12-9-20(10-13-31)15-19-7-5-4-6-8-19/h4-8,16-18,20,29H,9-15H2,1-3H3,(H,28,32).
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide?
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 21133920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).