N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

C22H35N3O3 — CID 60603436

IUPACN,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(C)C(=O)NCCOc2cccc(C)c2)CC1
InChIInChI=1S/C22H35N3O3/c1-5-24(6-2)22(27)19-10-13-25(14-11-19)18(4)21(26)23-12-15-28-20-9-7-8-17(3)16-20/h7-9,16,18-19H,5-6,10-15H2,1-4H3,(H,23,26)
InChIKeyNLRJZSIGXPFNGP-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.46
Rot. Bonds9

About N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 60603436) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID60603436
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(C)C(=O)NCCOc2cccc(C)c2)CC1
InChIInChI=1S/C22H35N3O3/c1-5-24(6-2)22(27)19-10-13-25(14-11-19)18(4)21(26)23-12-15-28-20-9-7-8-17(3)16-20/h7-9,16,18-19H,5-6,10-15H2,1-4H3,(H,23,26)
InChIKeyNLRJZSIGXPFNGP-UHFFFAOYSA-N
XLogP2.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 100843920
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120771375
N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
CID 60654093
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 94453898
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
N,N-diethyl-3-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]propanamide
CID 111366859
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 111750443

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 60603436) is N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(C)C(=O)NCCOc2cccc(C)c2)CC1.
What is the InChIKey of N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is NLRJZSIGXPFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-5-24(6-2)22(27)19-10-13-25(14-11-19)18(4)21(26)23-12-15-28-20-9-7-8-17(3)16-20/h7-9,16,18-19H,5-6,10-15H2,1-4H3,(H,23,26).
What are the key properties of N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 60603436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).