N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

C23H31N2O2+ — CID 7279394

IUPACN-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OC)c2)CC1
InChIInChI=1S/C23H30N2O2/c1-3-25(18-19-8-5-4-6-9-19)23(26)21-12-14-24(15-13-21)17-20-10-7-11-22(16-20)27-2/h4-11,16,21H,3,12-15,17-18H2,1-2H3/p+1
InChIKeyBXXDHQAKVIETER-UHFFFAOYSA-O
MW367.51 g/mol
LogP2.54
Rot. Bonds7

About N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 7279394) has the molecular formula C23H31N2O2+ and a molecular weight of 367.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID7279394
Molecular FormulaC23H31N2O2+
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC NameN-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OC)c2)CC1
InChIInChI=1S/C23H30N2O2/c1-3-25(18-19-8-5-4-6-9-19)23(26)21-12-14-24(15-13-21)17-20-10-7-11-22(16-20)27-2/h4-11,16,21H,3,12-15,17-18H2,1-2H3/p+1
InChIKeyBXXDHQAKVIETER-UHFFFAOYSA-O
XLogP2.54
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324338
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide
CID 7334890
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
benzyl-ethyl-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]azanium
CID 4517287
N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6952865
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
2-[benzyl-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium
CID 7317511
1-[(3-methoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7439611
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide (CID 7279394) is N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OC)c2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is BXXDHQAKVIETER-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N2O2/c1-3-25(18-19-8-5-4-6-9-19)23(26)21-12-14-24(15-13-21)17-20-10-7-11-22(16-20)27-2/h4-11,16,21H,3,12-15,17-18H2,1-2H3/p+1.
What are the key properties of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 367.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7279394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).