1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide

C24H33ClN4O — CID 44522105

IUPAC1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCc1c(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C24H33ClN4O/c1-16-20-3-2-4-21(25)23(20)27-22(16)15-28-11-9-19(10-12-28)29-13-7-17(8-14-29)24(30)26-18-5-6-18/h2-4,17-19,27H,5-15H2,1H3,(H,26,30)
InChIKeyYHPKEURQPPTPKO-UHFFFAOYSA-N
MW429.01 g/mol
LogP4.08
Rot. Bonds5

About 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide

1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 44522105) has the molecular formula C24H33ClN4O and a molecular weight of 429.01 g/mol. Its IUPAC name is 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID44522105
Molecular FormulaC24H33ClN4O
Molecular Weight429.01 g/mol
Exact Mass428.23
IUPAC Name1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCc1c(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C24H33ClN4O/c1-16-20-3-2-4-21(25)23(20)27-22(16)15-28-11-9-19(10-12-28)29-13-7-17(8-14-29)24(30)26-18-5-6-18/h2-4,17-19,27H,5-15H2,1H3,(H,26,30)
InChIKeyYHPKEURQPPTPKO-UHFFFAOYSA-N
XLogP4.08
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.01
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide (CID 44522105) is 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide is Cc1c(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is YHPKEURQPPTPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O/c1-16-20-3-2-4-21(25)23(20)27-22(16)15-28-11-9-19(10-12-28)29-13-7-17(8-14-29)24(30)26-18-5-6-18/h2-4,17-19,27H,5-15H2,1H3,(H,26,30).
What are the key properties of 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 429.01 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 44522105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).