N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide

C13H25N3O3 — CID 114424479

IUPACN-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)C1CC(C)CCN1
InChIInChI=1S/C13H25N3O3/c1-9-4-5-14-11(8-9)13(18)16-10(2)12(17)15-6-7-19-3/h9-11,14H,4-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyHCABLCHBANIKNE-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.36
Rot. Bonds6

About N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide

N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide (PubChem CID 114424479) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide
PubChem CID114424479
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)C1CC(C)CCN1
InChIInChI=1S/C13H25N3O3/c1-9-4-5-14-11(8-9)13(18)16-10(2)12(17)15-6-7-19-3/h9-11,14H,4-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyHCABLCHBANIKNE-UHFFFAOYSA-N
XLogP-0.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 114424478
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 115867150
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114424416
N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
CID 114424286
3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 115866989
4-methyl-N-pent-4-en-2-ylpiperidine-2-carboxamide
CID 114424522
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 113407184
4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
CID 114423872

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide (CID 114424479) is N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide is COCCNC(=O)C(C)NC(=O)C1CC(C)CCN1.
What is the InChIKey of N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide?
The InChIKey is HCABLCHBANIKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9-4-5-14-11(8-9)13(18)16-10(2)12(17)15-6-7-19-3/h9-11,14H,4-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide?
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).