1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid

C14H24N2O4 — CID 103994468

IUPAC1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NCCCOCC1CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)12-4-1-2-8-16(12)14(19)15-7-3-9-20-10-11-5-6-11/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyUWHMRMSTMSTYPL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid

1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 103994468) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID103994468
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NCCCOCC1CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)12-4-1-2-8-16(12)14(19)15-7-3-9-20-10-11-5-6-11/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyUWHMRMSTMSTYPL-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
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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Related Compounds

1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
CID 114239870
N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
CID 52572173
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
1-[3-(ethylamino)propylcarbamoyl]azepane-2-carboxylic acid
CID 64562140
1-(3-methylsulfonylpropylcarbamoyl)azepane-2-carboxylic acid
CID 64562929
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
CID 113450642
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid (CID 103994468) is 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)NCCCOCC1CC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is UWHMRMSTMSTYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(18)12-4-1-2-8-16(12)14(19)15-7-3-9-20-10-11-5-6-11/h11-12H,1-10H2,(H,15,19)(H,17,18).
What are the key properties of 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid?
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 103994468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).