4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride

C21H32ClN3O4 — CID 120929646

IUPAC4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)C2(CN)CCOCC2)CC1.Cl
InChIInChI=1S/C21H31N3O4.ClH/c1-27-18-5-3-2-4-16(18)14-19(25)24-10-6-17(7-11-24)23-20(26)21(15-22)8-12-28-13-9-21;/h2-5,17H,6-15,22H2,1H3,(H,23,26);1H
InChIKeyQYCHBAOSMOLYIV-UHFFFAOYSA-N
MW425.96 g/mol
LogP1.52
Rot. Bonds6

About 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120929646) has the molecular formula C21H32ClN3O4 and a molecular weight of 425.96 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120929646
Molecular FormulaC21H32ClN3O4
Molecular Weight425.96 g/mol
Exact Mass425.21
IUPAC Name4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)C2(CN)CCOCC2)CC1.Cl
InChIInChI=1S/C21H31N3O4.ClH/c1-27-18-5-3-2-4-16(18)14-19(25)24-10-6-17(7-11-24)23-20(26)21(15-22)8-12-28-13-9-21;/h2-5,17H,6-15,22H2,1H3,(H,23,26);1H
InChIKeyQYCHBAOSMOLYIV-UHFFFAOYSA-N
XLogP1.52
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791121
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzamide;hydrochloride
CID 86813960
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120942736
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
4-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120940743

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride (CID 120929646) is 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride is COc1ccccc1CC(=O)N1CCC(NC(=O)C2(CN)CCOCC2)CC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is QYCHBAOSMOLYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4.ClH/c1-27-18-5-3-2-4-16(18)14-19(25)24-10-6-17(7-11-24)23-20(26)21(15-22)8-12-28-13-9-21;/h2-5,17H,6-15,22H2,1H3,(H,23,26);1H.
What are the key properties of 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120929646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).