(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide

C19H29N5O3 — CID 29326396

IUPAC(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
SMILESCC(C)[C@@H](NC(N)=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H29N5O3/c1-13(2)17(23-19(20)27)18(26)22-15-8-10-24(11-9-15)12-16(25)21-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,21,25)(H,22,26)(H3,20,23,27)/t17-/m1/s1
InChIKeyIZVXFHAIARWQEC-QGZVFWFLSA-N
MW375.47 g/mol
LogP0.90
Rot. Bonds7

About (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide

(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide (PubChem CID 29326396) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
PubChem CID29326396
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
SMILESCC(C)[C@@H](NC(N)=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H29N5O3/c1-13(2)17(23-19(20)27)18(26)22-15-8-10-24(11-9-15)12-16(25)21-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,21,25)(H,22,26)(H3,20,23,27)/t17-/m1/s1
InChIKeyIZVXFHAIARWQEC-QGZVFWFLSA-N
XLogP0.90
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
CID 55548209
N-[(2S)-1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 42013988
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
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
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-bromophenyl)sulfanylpropanamide
CID 55832851
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]cyclohexanecarboxamide
CID 3220728
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide?
The IUPAC name of (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide (CID 29326396) is (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide?
The canonical SMILES for (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide is CC(C)[C@@H](NC(N)=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide?
The InChIKey is IZVXFHAIARWQEC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-13(2)17(23-19(20)27)18(26)22-15-8-10-24(11-9-15)12-16(25)21-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,21,25)(H,22,26)(H3,20,23,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide?
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide has a molecular weight of 375.47 g/mol, XLogP of 0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 29326396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).