N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

C18H33N3O3 — CID 123469906

IUPACN-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCCC(C)C(NC(=O)C1CCCCN1C)C(=O)NCOCC1CC1
InChIInChI=1S/C18H33N3O3/c1-4-13(2)16(18(23)19-12-24-11-14-8-9-14)20-17(22)15-7-5-6-10-21(15)3/h13-16H,4-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWIOZAXVLRJWYDC-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.50
Rot. Bonds9

About N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 123469906) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
PubChem CID123469906
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCCC(C)C(NC(=O)C1CCCCN1C)C(=O)NCOCC1CC1
InChIInChI=1S/C18H33N3O3/c1-4-13(2)16(18(23)19-12-24-11-14-8-9-14)20-17(22)15-7-5-6-10-21(15)3/h13-16H,4-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWIOZAXVLRJWYDC-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (CID 123469906) is N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is CCC(C)C(NC(=O)C1CCCCN1C)C(=O)NCOCC1CC1.
What is the InChIKey of N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The InChIKey is WIOZAXVLRJWYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-13(2)16(18(23)19-12-24-11-14-8-9-14)20-17(22)15-7-5-6-10-21(15)3/h13-16H,4-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 123469906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).