4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide

C18H28N4O2 — CID 120564436

IUPAC4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
SMILESCC(N)CCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(19)7-8-17(23)20-16-9-11-22(12-10-16)13-18(24)21-15-5-3-2-4-6-15/h2-6,14,16H,7-13,19H2,1H3,(H,20,23)(H,21,24)
InChIKeySIUFTBWGQXOGFT-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.33
Rot. Bonds7

About 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide

4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide (PubChem CID 120564436) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
PubChem CID120564436
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
SMILESCC(N)CCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(19)7-8-17(23)20-16-9-11-22(12-10-16)13-18(24)21-15-5-3-2-4-6-15/h2-6,14,16H,7-13,19H2,1H3,(H,20,23)(H,21,24)
InChIKeySIUFTBWGQXOGFT-UHFFFAOYSA-N
XLogP1.33
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120797554
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55518864
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide?
The IUPAC name of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide (CID 120564436) is 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide is CC(N)CCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide?
The InChIKey is SIUFTBWGQXOGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(19)7-8-17(23)20-16-9-11-22(12-10-16)13-18(24)21-15-5-3-2-4-6-15/h2-6,14,16H,7-13,19H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide?
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide has a molecular weight of 332.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 120564436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).