methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid

C15H27N3O3 — CID 66799191

IUPACmethyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid
SMILESCN(C(=O)O)C1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-16(15(20)21)13-5-11-18(12-6-13)14(19)7-10-17-8-3-2-4-9-17/h13H,2-12H2,1H3,(H,20,21)
InChIKeyHIYVIFZFKDWSBA-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.46
Rot. Bonds4

About methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid

methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid (PubChem CID 66799191) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid
PubChem CID66799191
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namemethyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid
SMILESCN(C(=O)O)C1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-16(15(20)21)13-5-11-18(12-6-13)14(19)7-10-17-8-3-2-4-9-17/h13H,2-12H2,1H3,(H,20,21)
InChIKeyHIYVIFZFKDWSBA-UHFFFAOYSA-N
XLogP1.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid?
The IUPAC name of methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid (CID 66799191) is methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid is CN(C(=O)O)C1CCN(C(=O)CCN2CCCCC2)CC1.
What is the InChIKey of methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid?
The InChIKey is HIYVIFZFKDWSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(15(20)21)13-5-11-18(12-6-13)14(19)7-10-17-8-3-2-4-9-17/h13H,2-12H2,1H3,(H,20,21).
What are the key properties of methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid?
methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid has a molecular weight of 297.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(3-piperidin-1-ylpropanoyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66799191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).