1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C17H33N3O3 — CID 86993216

IUPAC1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-13(2)23-12-6-9-18-16(21)15-7-10-20(11-8-15)14(3)17(22)19(4)5/h13-15H,6-12H2,1-5H3,(H,18,21)
InChIKeyVEGHTHVDMGOECY-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.11
Rot. Bonds8

About 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 86993216) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID86993216
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-13(2)23-12-6-9-18-16(21)15-7-10-20(11-8-15)14(3)17(22)19(4)5/h13-15H,6-12H2,1-5H3,(H,18,21)
InChIKeyVEGHTHVDMGOECY-UHFFFAOYSA-N
XLogP1.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.11
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

tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 60503970
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119720652
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 169317104
1-(1-aminocyclohexanecarbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287849
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287847
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 63848445

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 86993216) is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is VEGHTHVDMGOECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-13(2)23-12-6-9-18-16(21)15-7-10-20(11-8-15)14(3)17(22)19(4)5/h13-15H,6-12H2,1-5H3,(H,18,21).
What are the key properties of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 86993216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).