N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride

C20H26ClN3O3 — CID 120992282

IUPACN-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC(NC(=O)c2ccc3ccccc3c2)C1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-26-13-18(21)20(25)23-10-4-7-17(12-23)22-19(24)16-9-8-14-5-2-3-6-15(14)11-16;/h2-3,5-6,8-9,11,17-18H,4,7,10,12-13,21H2,1H3,(H,22,24);1H
InChIKeyZVRQXAGDEFFULD-UHFFFAOYSA-N
MW391.90 g/mol
LogP1.96
Rot. Bonds5

About N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride

N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 120992282) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride
PubChem CID120992282
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC(NC(=O)c2ccc3ccccc3c2)C1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-26-13-18(21)20(25)23-10-4-7-17(12-23)22-19(24)16-9-8-14-5-2-3-6-15(14)11-16;/h2-3,5-6,8-9,11,17-18H,4,7,10,12-13,21H2,1H3,(H,22,24);1H
InChIKeyZVRQXAGDEFFULD-UHFFFAOYSA-N
XLogP1.96
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-aminobutanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 119821243
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one
CID 120989216
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
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N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
2-(2-amino-3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999397
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
CID 66566796

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride (CID 120992282) is N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride is COCC(N)C(=O)N1CCCC(NC(=O)c2ccc3ccccc3c2)C1.Cl.
What is the InChIKey of N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is ZVRQXAGDEFFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c1-26-13-18(21)20(25)23-10-4-7-17(12-23)22-19(24)16-9-8-14-5-2-3-6-15(14)11-16;/h2-3,5-6,8-9,11,17-18H,4,7,10,12-13,21H2,1H3,(H,22,24);1H.
What are the key properties of N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120992282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).