N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide

C20H29N3O2 — CID 10545343

IUPACN-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2c(OC)[nH]c3ccccc23)CC1
InChIInChI=1S/C20H29N3O2/c1-3-4-11-23-12-9-15(10-13-23)14-21-19(24)18-16-7-5-6-8-17(16)22-20(18)25-2/h5-8,15,22H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyZJRSVQIVCBWYBB-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.42
Rot. Bonds7

About N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide

N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide (PubChem CID 10545343) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide
PubChem CID10545343
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2c(OC)[nH]c3ccccc23)CC1
InChIInChI=1S/C20H29N3O2/c1-3-4-11-23-12-9-15(10-13-23)14-21-19(24)18-16-7-5-6-8-17(16)22-20(18)25-2/h5-8,15,22H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyZJRSVQIVCBWYBB-UHFFFAOYSA-N
XLogP3.42
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide (CID 10545343) is N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide is CCCCN1CCC(CNC(=O)c2c(OC)[nH]c3ccccc23)CC1.
What is the InChIKey of N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide?
The InChIKey is ZJRSVQIVCBWYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-4-11-23-12-9-15(10-13-23)14-21-19(24)18-16-7-5-6-8-17(16)22-20(18)25-2/h5-8,15,22H,3-4,9-14H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide?
N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 10545343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).