1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide

C17H28N2O3 — CID 46419524

IUPAC1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCOCC1CC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H28N2O3/c20-16(18-8-1-11-22-12-13-2-3-13)14-6-9-19(10-7-14)17(21)15-4-5-15/h13-15H,1-12H2,(H,18,20)
InChIKeyMSSVDATXHCSVCE-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.57
Rot. Bonds8

About 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide (PubChem CID 46419524) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
PubChem CID46419524
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCOCC1CC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H28N2O3/c20-16(18-8-1-11-22-12-13-2-3-13)14-6-9-19(10-7-14)17(21)15-4-5-15/h13-15H,1-12H2,(H,18,20)
InChIKeyMSSVDATXHCSVCE-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18120928
N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
CID 52572173
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
4-[3-(oxan-4-ylmethoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673829
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111839786
4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 109147237
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
N-(2-amino-2-oxoethyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 60668234
1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803507

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide (CID 46419524) is 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide is O=C(NCCCOCC1CC1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide?
The InChIKey is MSSVDATXHCSVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16(18-8-1-11-22-12-13-2-3-13)14-6-9-19(10-7-14)17(21)15-4-5-15/h13-15H,1-12H2,(H,18,20).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46419524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).