1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C17H33N3O3 — CID 119720652

IUPAC1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCNCC(C)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-13(2)23-11-5-8-19-16(21)15-6-9-20(10-7-15)17(22)14(3)12-18-4/h13-15,18H,5-12H2,1-4H3,(H,19,21)
InChIKeyBOFGVOOOPHJBER-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.01
Rot. Bonds9

About 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 119720652) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID119720652
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCNCC(C)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-13(2)23-11-5-8-19-16(21)15-6-9-20(10-7-15)17(22)14(3)12-18-4/h13-15,18H,5-12H2,1-4H3,(H,19,21)
InChIKeyBOFGVOOOPHJBER-UHFFFAOYSA-N
XLogP1.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 16770022
N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 7175831
N-(3-methoxypropyl)piperidine-4-carboxamide hydrochloride
CID 45791896
Cambridge id 6577885
CID 2186986
5-{[1-(3-Methylbutanoyl)-4-piperidyl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201673
(3S)-1-tert-butyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 171359067
1-(3-bromoprop-2-ynoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 162405065
N-(3-ethoxypropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
CID 56026830
N-(3-methoxypropyl)piperidine-4-carboxamide
CID 7175819
(4-Methoxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 43373185
N-(3-methylbutyl)-1-(2-propan-2-yloxyacetyl)piperidine-4-carboxamide
CID 48177767
2-(4-formylpiperidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55099740

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 119720652) is 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CNCC(C)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1.
What is the InChIKey of 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is BOFGVOOOPHJBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-13(2)23-11-5-8-19-16(21)15-6-9-20(10-7-15)17(22)14(3)12-18-4/h13-15,18H,5-12H2,1-4H3,(H,19,21).
What are the key properties of 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119720652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).