1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide

C16H28N2O2 — CID 113005621

IUPAC1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-3-4-10-17-15(19)13-8-11-18(12-9-13)16(20)14-6-5-7-14/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeySCTKIINQFBYNCG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 113005621) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
PubChem CID113005621
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-3-4-10-17-15(19)13-8-11-18(12-9-13)16(20)14-6-5-7-14/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeySCTKIINQFBYNCG-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 61163792
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 119720592
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
CID 111536677
1-[(4-methylphenyl)carbamothioyl]-N-pentylpiperidine-4-carboxamide
CID 43076522
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide (CID 113005621) is 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is SCTKIINQFBYNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-3-4-10-17-15(19)13-8-11-18(12-9-13)16(20)14-6-5-7-14/h13-14H,2-12H2,1H3,(H,17,19).
What are the key properties of 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 113005621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).