N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride

C18H28ClN3O4 — CID 120505350

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)c1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-12(11-19)20-17(22)13-4-6-21(7-5-13)18(23)14-8-15(24-2)10-16(9-14)25-3;/h8-10,12-13H,4-7,11,19H2,1-3H3,(H,20,22);1H/t12-;/m0./s1
InChIKeyAHPYVCWKBMBBMT-YDALLXLXSA-N
MW385.89 g/mol
LogP1.44
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120505350) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120505350
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)c1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-12(11-19)20-17(22)13-4-6-21(7-5-13)18(23)14-8-15(24-2)10-16(9-14)25-3;/h8-10,12-13H,4-7,11,19H2,1-3H3,(H,20,22);1H/t12-;/m0./s1
InChIKeyAHPYVCWKBMBBMT-YDALLXLXSA-N
XLogP1.44
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46472551
N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 78884210
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
1-(3,5-dimethoxybenzoyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 55759173

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride (CID 120505350) is N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride is COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)CN)CC2)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is AHPYVCWKBMBBMT-YDALLXLXSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-12(11-19)20-17(22)13-4-6-21(7-5-13)18(23)14-8-15(24-2)10-16(9-14)25-3;/h8-10,12-13H,4-7,11,19H2,1-3H3,(H,20,22);1H/t12-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120505350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).