N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane

C20H30ClN3O — CID 171519771

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
SMILESCC.CC(C)c1cc2[nH]c(CNC(=O)N3CCCCC3)cc2cc1Cl
InChIInChI=1S/C18H24ClN3O.C2H6/c1-12(2)15-10-17-13(9-16(15)19)8-14(21-17)11-20-18(23)22-6-4-3-5-7-22;1-2/h8-10,12,21H,3-7,11H2,1-2H3,(H,20,23);1-2H3
InChIKeyQWVQGTCQWUENQJ-UHFFFAOYSA-N
MW363.93 g/mol
LogP5.67
Rot. Bonds3

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane (PubChem CID 171519771) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
PubChem CID171519771
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
SMILESCC.CC(C)c1cc2[nH]c(CNC(=O)N3CCCCC3)cc2cc1Cl
InChIInChI=1S/C18H24ClN3O.C2H6/c1-12(2)15-10-17-13(9-16(15)19)8-14(21-17)11-20-18(23)22-6-4-3-5-7-22;1-2/h8-10,12,21H,3-7,11H2,1-2H3,(H,20,23);1-2H3
InChIKeyQWVQGTCQWUENQJ-UHFFFAOYSA-N
XLogP5.67
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.93
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane (CID 171519771) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane is CC.CC(C)c1cc2[nH]c(CNC(=O)N3CCCCC3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane?
The InChIKey is QWVQGTCQWUENQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O.C2H6/c1-12(2)15-10-17-13(9-16(15)19)8-14(21-17)11-20-18(23)22-6-4-3-5-7-22;1-2/h8-10,12,21H,3-7,11H2,1-2H3,(H,20,23);1-2H3.
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane has a molecular weight of 363.93 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane is sourced from PubChem (CID 171519771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).