N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide

C24H34N4O3 — CID 56577805

IUPACN'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1
InChIInChI=1S/C24H34N4O3/c1-3-19(4-2)24(31)27-17-13-20(14-18-27)26-22(29)11-12-23(30)28(16-8-15-25)21-9-6-5-7-10-21/h5-7,9-10,19-20H,3-4,8,11-14,16-18H2,1-2H3,(H,26,29)
InChIKeyNGPFBCTYIQHHJA-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.26
Rot. Bonds10

About N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide

N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide (PubChem CID 56577805) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide.

Molecular Properties

Compound NameN'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide
PubChem CID56577805
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1
InChIInChI=1S/C24H34N4O3/c1-3-19(4-2)24(31)27-17-13-20(14-18-27)26-22(29)11-12-23(30)28(16-8-15-25)21-9-6-5-7-10-21/h5-7,9-10,19-20H,3-4,8,11-14,16-18H2,1-2H3,(H,26,29)
InChIKeyNGPFBCTYIQHHJA-UHFFFAOYSA-N
XLogP3.26
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-cyanoethyl)-N'-phenyl-N-(1-propylsulfonylpiperidin-4-yl)butanediamide
CID 56505559
N'-(2-cyanoethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N'-phenylbutanediamide
CID 56505702
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56515823
tert-butyl N-[1-[4-[N-(2-cyanoethyl)anilino]-4-oxobutanoyl]piperidin-4-yl]carbamate
CID 56513571
N'-(2-cyanoethyl)-N-(1-cyclopropylethyl)-N'-phenylbutanediamide
CID 56540825
N-(2-cyanoethyl)-4-oxo-N-phenyl-4-[4-(propylsulfonylamino)piperidin-1-yl]butanamide
CID 56577959
N'-(2-cyanoethyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]-N'-phenylbutanediamide
CID 56515980
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55950899
N'-(2-cyanoethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N'-phenylbutanediamide
CID 56513603
ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
N-(2-cyanoethyl)-4-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 56574815

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide?
The IUPAC name of N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide (CID 56577805) is N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide.
What is the SMILES notation for N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide?
The canonical SMILES for N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide is CCC(CC)C(=O)N1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1.
What is the InChIKey of N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide?
The InChIKey is NGPFBCTYIQHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-3-19(4-2)24(31)27-17-13-20(14-18-27)26-22(29)11-12-23(30)28(16-8-15-25)21-9-6-5-7-10-21/h5-7,9-10,19-20H,3-4,8,11-14,16-18H2,1-2H3,(H,26,29).
What are the key properties of N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide?
N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide has a molecular weight of 426.56 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide is sourced from PubChem (CID 56577805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).