N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride

C27H29ClN2O4 — CID 44535104

IUPACN-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccc3oc4ccccc4c3c2)ccc1OCCN1CCCCC1.Cl
InChIInChI=1S/C27H28N2O4.ClH/c1-31-26-18-20(10-12-25(26)32-16-15-29-13-5-2-6-14-29)28-27(30)19-9-11-24-22(17-19)21-7-3-4-8-23(21)33-24;/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,28,30);1H
InChIKeyXXLISUJCWBULLL-UHFFFAOYSA-N
MW480.99 g/mol
LogP6.13
Rot. Bonds7

About N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride

N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride (PubChem CID 44535104) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride
PubChem CID44535104
Molecular FormulaC27H29ClN2O4
Molecular Weight480.99 g/mol
Exact Mass480.18
IUPAC NameN-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccc3oc4ccccc4c3c2)ccc1OCCN1CCCCC1.Cl
InChIInChI=1S/C27H28N2O4.ClH/c1-31-26-18-20(10-12-25(26)32-16-15-29-13-5-2-6-14-29)28-27(30)19-9-11-24-22(17-19)21-7-3-4-8-23(21)33-24;/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,28,30);1H
InChIKeyXXLISUJCWBULLL-UHFFFAOYSA-N
XLogP6.13
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.99
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 141047368
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
CID 86597114
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
1-dibenzofuran-2-yl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 5124035
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71462874

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride (CID 44535104) is N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride is COc1cc(NC(=O)c2ccc3oc4ccccc4c3c2)ccc1OCCN1CCCCC1.Cl.
What is the InChIKey of N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride?
The InChIKey is XXLISUJCWBULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4.ClH/c1-31-26-18-20(10-12-25(26)32-16-15-29-13-5-2-6-14-29)28-27(30)19-9-11-24-22(17-19)21-7-3-4-8-23(21)33-24;/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,28,30);1H.
What are the key properties of N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride?
N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride has a molecular weight of 480.99 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 44535104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).