N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide

C24H28ClN3O2 — CID 53036181

IUPACN-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(CN1CCC(C(=O)NCc3ccccc3Cl)CC1)cn2C
InChIInChI=1S/C24H28ClN3O2/c1-27-15-19(21-13-20(30-2)7-8-23(21)27)16-28-11-9-17(10-12-28)24(29)26-14-18-5-3-4-6-22(18)25/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,26,29)
InChIKeyPWKMUUUAGJKRII-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.37
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 53036181) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID53036181
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(CN1CCC(C(=O)NCc3ccccc3Cl)CC1)cn2C
InChIInChI=1S/C24H28ClN3O2/c1-27-15-19(21-13-20(30-2)7-8-23(21)27)16-28-11-9-17(10-12-28)24(29)26-14-18-5-3-4-6-22(18)25/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,26,29)
InChIKeyPWKMUUUAGJKRII-UHFFFAOYSA-N
XLogP4.37
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide (CID 53036181) is N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide is COc1ccc2c(c1)c(CN1CCC(C(=O)NCc3ccccc3Cl)CC1)cn2C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PWKMUUUAGJKRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-27-15-19(21-13-20(30-2)7-8-23(21)27)16-28-11-9-17(10-12-28)24(29)26-14-18-5-3-4-6-22(18)25/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,26,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(5-methoxy-1-methylindol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53036181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).