N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride

C21H28ClN3O3 — CID 119771791

IUPACN-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)NC1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-14(19(22)16-6-4-3-5-7-16)21(26)24-11-8-17(9-12-24)23-20(25)18-10-13-27-15(18)2;/h3-7,10,13-14,17,19H,8-9,11-12,22H2,1-2H3,(H,23,25);1H
InChIKeyYOQBERGTYXVJCO-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride

N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119771791) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119771791
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC NameN-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)NC1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-14(19(22)16-6-4-3-5-7-16)21(26)24-11-8-17(9-12-24)23-20(25)18-10-13-27-15(18)2;/h3-7,10,13-14,17,19H,8-9,11-12,22H2,1-2H3,(H,23,25);1H
InChIKeyYOQBERGTYXVJCO-UHFFFAOYSA-N
XLogP3.07
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
2-methyl-N-[1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]furan-3-carboxamide
CID 95176270
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119771793
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride (CID 119771791) is N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride is Cc1occc1C(=O)NC1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is YOQBERGTYXVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.ClH/c1-14(19(22)16-6-4-3-5-7-16)21(26)24-11-8-17(9-12-24)23-20(25)18-10-13-27-15(18)2;/h3-7,10,13-14,17,19H,8-9,11-12,22H2,1-2H3,(H,23,25);1H.
What are the key properties of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride?
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119771791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).