1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea

C15H29N3O2 — CID 108566126

IUPAC1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea
SMILESCCCCC(=O)N1CCC(NC(=O)N(CC)CC)CC1
InChIInChI=1S/C15H29N3O2/c1-4-7-8-14(19)18-11-9-13(10-12-18)16-15(20)17(5-2)6-3/h13H,4-12H2,1-3H3,(H,16,20)
InChIKeyBSPJKFDUTLNECQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.22
Rot. Bonds6

About 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea

1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea (PubChem CID 108566126) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea
PubChem CID108566126
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea
SMILESCCCCC(=O)N1CCC(NC(=O)N(CC)CC)CC1
InChIInChI=1S/C15H29N3O2/c1-4-7-8-14(19)18-11-9-13(10-12-18)16-15(20)17(5-2)6-3/h13H,4-12H2,1-3H3,(H,16,20)
InChIKeyBSPJKFDUTLNECQ-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(1-pentanoylpiperidin-4-yl)butanamide
CID 110819505
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
CID 108563875
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694
1-pentanoyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005874
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea (CID 108566126) is 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea is CCCCC(=O)N1CCC(NC(=O)N(CC)CC)CC1.
What is the InChIKey of 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea?
The InChIKey is BSPJKFDUTLNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-7-8-14(19)18-11-9-13(10-12-18)16-15(20)17(5-2)6-3/h13H,4-12H2,1-3H3,(H,16,20).
What are the key properties of 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea?
1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea has a molecular weight of 283.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea is sourced from PubChem (CID 108566126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).