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

C20H30ClN3O2 — CID 67829601

IUPACN-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride
SMILESCCCCN1CCC(CNC(=O)c2c(OC)[nH]c3ccccc23)CC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/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);1H
InChIKeyZXKFEMHCQKNJBP-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.84
Rot. Bonds7

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

N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride (PubChem CID 67829601) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride
PubChem CID67829601
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride
SMILESCCCCN1CCC(CNC(=O)c2c(OC)[nH]c3ccccc23)CC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/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);1H
InChIKeyZXKFEMHCQKNJBP-UHFFFAOYSA-N
XLogP3.84
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.84
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;hydrochloride?
The IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride (CID 67829601) is N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride is CCCCN1CCC(CNC(=O)c2c(OC)[nH]c3ccccc23)CC1.Cl.
What is the InChIKey of N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is ZXKFEMHCQKNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/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);1H.
What are the key properties of N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride?
N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.84, 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;hydrochloride is sourced from PubChem (CID 67829601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).