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

C20H30N4O3 — CID 120797554

IUPAC2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C20H30N4O3/c21-19(15-8-12-27-13-9-15)20(26)23-17-6-10-24(11-7-17)14-18(25)22-16-4-2-1-3-5-16/h1-5,15,17,19H,6-14,21H2,(H,22,25)(H,23,26)
InChIKeyNLRITAVTWBHUAV-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.96
Rot. Bonds6

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

2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide (PubChem CID 120797554) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
PubChem CID120797554
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C20H30N4O3/c21-19(15-8-12-27-13-9-15)20(26)23-17-6-10-24(11-7-17)14-18(25)22-16-4-2-1-3-5-16/h1-5,15,17,19H,6-14,21H2,(H,22,25)(H,23,26)
InChIKeyNLRITAVTWBHUAV-UHFFFAOYSA-N
XLogP0.96
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 120788504
2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide (CID 120797554) is 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide is NC(C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is NLRITAVTWBHUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c21-19(15-8-12-27-13-9-15)20(26)23-17-6-10-24(11-7-17)14-18(25)22-16-4-2-1-3-5-16/h1-5,15,17,19H,6-14,21H2,(H,22,25)(H,23,26).
What are the key properties of 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide?
2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120797554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).