2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride

C17H26ClN3O3 — CID 120990471

IUPAC2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-23-12-15(18)16(21)19-11-13-7-9-20(10-8-13)17(22)14-5-3-2-4-6-14;/h2-6,13,15H,7-12,18H2,1H3,(H,19,21);1H
InChIKeyYLWYUDGBANNJPS-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120990471) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120990471
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-23-12-15(18)16(21)19-11-13-7-9-20(10-8-13)17(22)14-5-3-2-4-6-14;/h2-6,13,15H,7-12,18H2,1H3,(H,19,21);1H
InChIKeyYLWYUDGBANNJPS-UHFFFAOYSA-N
XLogP1.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045307
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride (CID 120990471) is 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is YLWYUDGBANNJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-23-12-15(18)16(21)19-11-13-7-9-20(10-8-13)17(22)14-5-3-2-4-6-14;/h2-6,13,15H,7-12,18H2,1H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120990471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).