N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide

C19H29N3O2 — CID 18131571

IUPACN-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCC(C)NC(=O)CN1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-7-15(2)20-18(23)14-22-12-10-17(11-13-22)21-19(24)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyWTDDSNKEDSTUSO-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.19
Rot. Bonds7

About N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide

N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 18131571) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID18131571
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCC(C)NC(=O)CN1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-7-15(2)20-18(23)14-22-12-10-17(11-13-22)21-19(24)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyWTDDSNKEDSTUSO-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33105307
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[1-[3-(2-phenylhydrazinyl)butyl]piperidin-4-yl]benzamide
CID 21395239
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
CID 63596753
N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942986
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide (CID 18131571) is N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide is CCCC(C)NC(=O)CN1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is WTDDSNKEDSTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-7-15(2)20-18(23)14-22-12-10-17(11-13-22)21-19(24)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide?
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 18131571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).