4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C16H30N4O3 — CID 91921394

IUPAC4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)NCCCOC)C2)CC1
InChIInChI=1S/C16H30N4O3/c1-17-15(21)19-8-4-13(5-9-19)14-6-10-20(12-14)16(22)18-7-3-11-23-2/h13-14H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyBKIAOAZTRIOVRY-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.11
Rot. Bonds5

About 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91921394) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91921394
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)NCCCOC)C2)CC1
InChIInChI=1S/C16H30N4O3/c1-17-15(21)19-8-4-13(5-9-19)14-6-10-20(12-14)16(22)18-7-3-11-23-2/h13-14H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyBKIAOAZTRIOVRY-UHFFFAOYSA-N
XLogP1.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91921394) is 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)NCCCOC)C2)CC1.
What is the InChIKey of 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is BKIAOAZTRIOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-17-15(21)19-8-4-13(5-9-19)14-6-10-20(12-14)16(22)18-7-3-11-23-2/h13-14H,3-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypropylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91921394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).