1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C22H31ClN4O2 — CID 53117827

IUPAC1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C22H31ClN4O2/c1-25-15-18(20-14-19(23)2-3-21(20)25)16-27-7-4-17(5-8-27)22(28)24-6-9-26-10-12-29-13-11-26/h2-3,14-15,17H,4-13,16H2,1H3,(H,24,28)
InChIKeyRIVVOECKZMTAJY-UHFFFAOYSA-N
MW418.97 g/mol
LogP2.49
Rot. Bonds6

About 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 53117827) has the molecular formula C22H31ClN4O2 and a molecular weight of 418.97 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID53117827
Molecular FormulaC22H31ClN4O2
Molecular Weight418.97 g/mol
Exact Mass418.21
IUPAC Name1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C22H31ClN4O2/c1-25-15-18(20-14-19(23)2-3-21(20)25)16-27-7-4-17(5-8-27)22(28)24-6-9-26-10-12-29-13-11-26/h2-3,14-15,17H,4-13,16H2,1H3,(H,24,28)
InChIKeyRIVVOECKZMTAJY-UHFFFAOYSA-N
XLogP2.49
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 53117827) is 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is Cn1cc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is RIVVOECKZMTAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O2/c1-25-15-18(20-14-19(23)2-3-21(20)25)16-27-7-4-17(5-8-27)22(28)24-6-9-26-10-12-29-13-11-26/h2-3,14-15,17H,4-13,16H2,1H3,(H,24,28).
What are the key properties of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 418.97 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53117827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).