N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C17H26ClN3O3 — CID 119761974

IUPACN-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCC(=O)NCc2ccccc2)CCNCC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-23-17(8-11-18-12-9-17)16(22)19-10-7-15(21)20-13-14-5-3-2-4-6-14;/h2-6,18H,7-13H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyPLIRKULLAAMBFB-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.00
Rot. Bonds7

About N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119761974) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119761974
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCC(=O)NCc2ccccc2)CCNCC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-23-17(8-11-18-12-9-17)16(22)19-10-7-15(21)20-13-14-5-3-2-4-6-14;/h2-6,18H,7-13H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyPLIRKULLAAMBFB-UHFFFAOYSA-N
XLogP1.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 119870712
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119739146
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
N-[2-(benzenesulfonamido)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119704269
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119761974) is N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCCC(=O)NCc2ccccc2)CCNCC1.Cl.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is PLIRKULLAAMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-23-17(8-11-18-12-9-17)16(22)19-10-7-15(21)20-13-14-5-3-2-4-6-14;/h2-6,18H,7-13H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119761974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).