N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide

C16H29N3O2 — CID 124507283

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-3-13(4-2)15(20)18-11-7-14(8-12-18)17-16(21)19-9-5-6-10-19/h13-14H,3-12H2,1-2H3,(H,17,21)
InChIKeyLUDWUPIQAKFMKT-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 124507283) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID124507283
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-3-13(4-2)15(20)18-11-7-14(8-12-18)17-16(21)19-9-5-6-10-19/h13-14H,3-12H2,1-2H3,(H,17,21)
InChIKeyLUDWUPIQAKFMKT-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide (CID 124507283) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide is CCC(CC)C(=O)N1CCC(NC(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is LUDWUPIQAKFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-13(4-2)15(20)18-11-7-14(8-12-18)17-16(21)19-9-5-6-10-19/h13-14H,3-12H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124507283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).